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August 2019 Page 1 of 23 Keith T. Kuwata Curriculum Vitae Department of Chemistry [email protected] Macalester College voice: (651) 696-6768 1600 Grand Avenue fax: (651) 696-6432 Saint Paul, MN 55105-1899 I. EDUCATION Ph.D. in Chemistry, California Institute of Technology 1998 B.S. in Chemistry with High Distinction, Harvey Mudd College 1991 II. ACADEMIC EMPLOYMENT Chair of Chemistry Department, Macalester College 2014 to Present Professor of Chemistry, Macalester College 2011 to Present Associate Professor of Chemistry, Macalester College 2006 to 2011 Assistant Professor of Chemistry, Macalester College 2000 to 2006 Postdoctoral Scholar, University of California, Los Angeles 1998 to 2000 Lecturer, University of California, Los Angeles 1999 to 2000 III. PUBLISHED SCHOLARLY WORK A. ARTICLES PUBLISHED AS A FULL PROFESSOR (* indicates Macalester College undergraduate) 1. Keith T. Kuwata, Lina Luu,* Alexander B. Weberg,* Ke Huang,* Austin J. Parsons,* Liam A. Peebles,* Nathan B. Rackstraw,* and Min Ji Kim,* “Quantum Chemical and Statistical Rate Theory Studies of the Vinyl Hydroperoxides Formed in Trans-2-Butene and 2,3-Dimethyl-2-Butene Ozonolysis,” Journal of Physical Chemistry A, 2018, 122, 2485-2502. 2. Michelle H. Fung, Marla DeVault,* Keith T. Kuwata, and Raj Suryanarayanan, “Drug-Excipient Interactions: Effect on Molecular Mobility and Physical Stability of Ketoconazole-Organic Acid Coamorphous System,” Molecular Pharmaceutics, 2018, 15, 1052-1061. 3. Keith T. Kuwata, Emily J. Guinn,* Matthew R. Hermes,* Jenna A. Fernandez,* Jon M. Mathison,* and Ke Huang,* “A Computational Re-examination of the Criegee Intermediate-Sulfur Dioxide Reaction,” Journal of Physical Chemistry A, 2015, 119, 10316-10335. 4. Daniel J. Marell, Lawrence R. Furan,* Brian P. Woods, Xiangyun Lei, Andrew J. Bendelsmith,* Christopher J. Cramer, Thomas R. Hoye, and Keith T. Kuwata,

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Page 1: Keith T. Kuwata Curriculum Vitaekuwata/text/CV 2019-08.pdf · Curriculum Vitae Keith T. Kuwata August 2019 Page 2 of 23 “Mechanism of the Intramolecular Hexadehydro-Diels-Alder

August 2019 Page 1 of 23

Keith T. Kuwata Curriculum Vitae

Department of Chemistry [email protected] Macalester College voice: (651) 696-6768 1600 Grand Avenue fax: (651) 696-6432 Saint Paul, MN 55105-1899 I. EDUCATION

Ph.D. in Chemistry, California Institute of Technology 1998

B.S. in Chemistry with High Distinction, Harvey Mudd College 1991

II. ACADEMIC EMPLOYMENT

Chair of Chemistry Department, Macalester College 2014 to Present

Professor of Chemistry, Macalester College 2011 to Present

Associate Professor of Chemistry, Macalester College 2006 to 2011

Assistant Professor of Chemistry, Macalester College 2000 to 2006

Postdoctoral Scholar, University of California, Los Angeles 1998 to 2000

Lecturer, University of California, Los Angeles 1999 to 2000

III. PUBLISHED SCHOLARLY WORK

A. ARTICLES PUBLISHED AS A FULL PROFESSOR (* indicates Macalester College undergraduate)

1. Keith T. Kuwata, Lina Luu,* Alexander B. Weberg,* Ke Huang,* Austin J. Parsons,* Liam A. Peebles,* Nathan B. Rackstraw,* and Min Ji Kim,* “Quantum Chemical and Statistical Rate Theory Studies of the Vinyl Hydroperoxides Formed in Trans-2-Butene and 2,3-Dimethyl-2-Butene Ozonolysis,” Journal of Physical Chemistry A, 2018, 122, 2485-2502.

2. Michelle H. Fung, Marla DeVault,* Keith T. Kuwata, and Raj Suryanarayanan, “Drug-Excipient Interactions: Effect on Molecular Mobility and Physical Stability of Ketoconazole-Organic Acid Coamorphous System,” Molecular Pharmaceutics, 2018, 15, 1052-1061.

3. Keith T. Kuwata, Emily J. Guinn,* Matthew R. Hermes,* Jenna A. Fernandez,* Jon M. Mathison,* and Ke Huang,* “A Computational Re-examination of the Criegee Intermediate-Sulfur Dioxide Reaction,” Journal of Physical Chemistry A, 2015, 119, 10316-10335.

4. Daniel J. Marell, Lawrence R. Furan,* Brian P. Woods, Xiangyun Lei, Andrew J. Bendelsmith,* Christopher J. Cramer, Thomas R. Hoye, and Keith T. Kuwata,

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“Mechanism of the Intramolecular Hexadehydro-Diels-Alder Reaction,” Journal of Organic Chemistry, 2015, 80, 11744-11754.

5. ShivaKumar Kyasa, Rebecca N. Meier,* Ruth A. Pardini,* Tristan K. Truttmann,* Keith T. Kuwata, and Patrick H. Dussault, "Synthesis of Ethers via Reaction of Carbanions and Monoperoxyacetals,” Journal of Organic Chemistry, 2015, 80, 12100-12114.

6. Keith T. Kuwata, “Computational Treatments of Peroxy Radicals in Combustion and Atmospheric Systems.” In The Chemistry of Peroxides, Volume 3; Liebman, J. F., Greer, A., Eds.; John Wiley & Sons: Chichester, UK, 2014; pp. 633-682.

7. Keith T. Kuwata, “Quantum Chemical Studies of Carbonyl Oxide Chemistry in Combustion and in the Lower Atmosphere.” In The Chemistry of Peroxides, Volume 3; Liebman, J. F., Greer, A., Eds.; John Wiley & Sons: Chichester, UK, 2014; pp. 585-632.

8. Andrew J. Bendelsmith,* Keith T. Kuwata, and Thomas D. Varberg, “Hyperfine Structure in the Electronic Spectrum of TaS,” Journal of Molecular Spectroscopy, 2012, 276-277, 14-18.

9. Keith T. Kuwata, Daniela Kohen, Brent P. Krueger, and William F. Polik, “Development of a Regional Computational Chemistry Consortium Centered around Undergraduate Research Conferences,” CUR Quarterly, 2012, 32(4), 9-14.

10. Jiliang Hang, Prasanta Ghorai, Solaire A. Finkenstaedt-Quinn,* Ilhan Findik,* Emily Sliz,* Keith T. Kuwata, and Patrick H. Dussault, “Generation of Singlet Oxygen from Fragmentation of Monoactivated 1,1-Dihydroperoxides,” Journal of Organic Chemistry, 2012, 77, 1233-1243.

B. ARTICLES PUBLISHED AS AN ASSOCIATE PROFESSOR

(* indicates Macalester College undergraduate)

11. Keith T. Kuwata, Brianna J. Kujala,* Zachary W. Morrow,* and Elena Tonc,* “Quantum Chemical and RRKM/Master Equation Studies of Cyclopropene Ozonolysis,” Computational and Theoretical Chemistry, 2011, 965, 305-312.

12. Thomas D. Varberg, Andrew J. Bendelsmith,* and Keith T. Kuwata, “Measurement of the Compressibility of Gases: A Physical Chemistry Laboratory Experiment,” Journal of Chemical Education, 2011, 88, 1166-1169.

13. Keith T. Kuwata, Matthew R. Hermes,* Matthew J. Carlson,* and Cheryl K. Zogg,* “Computational Studies of the Isomerization and Hydration Reactions of Acetaldehyde Oxide and Methyl Vinyl Carbonyl Oxide,” Journal of Physical Chemistry A, 2010, 114, 9192-9204.

14. Duncan A. Wild, Keith T. Kuwata, Chi-Kin Wong, Julio D. Lobo, Andrei Deev, Thomas S. Schindler, Mitchio Okumura, and Evan J. Bieske, “Infrared Spectra of Mass-Selected Br¯(NH3)n and I¯(NH3)n Clusters,” Journal of Physical Chemistry A, 2010, 114, 4762-4769.

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15. Keith T. Kuwata and Lukas C. Valin,* “Quantum Chemical and RRKM/Master Equation Studies of Isoprene Ozonolysis: Methacrolein and Methacrolein Oxide,” Chemical Physics Letters, 2008, 451, 186-191.

16. Kara J. Manke,* Tyson R. Vervoort,* Keith T. Kuwata, and Thomas D. Varberg, “Electronic Structure of TaO and its Hyperfine Structure,” Journal of Chemical Physics, 2008, 128, 104302/1-104302/6.

17. Keith T. Kuwata, Theodore S. Dibble, Emily Sliz,* and Erin B. Petersen,* “Computational Studies of Intramolecular Hydrogen Atom Transfers in the -Hydroxyethylperoxy and -Hydroxyethoxy Radicals,” Journal of Physical Chemistry A, 2007, 111, 5032-5042.

18. Keith T. Kuwata, Lukas C. Valin,* and Amber D. Converse,* “Quantum Chemical and Master Equation Studies of the Methyl Vinyl Carbonyl Oxides Formed in Isoprene Ozonolysis,” Journal of Physical Chemistry A, 2005, 109, 10710-10725.

C. ARTICLES BASED ON WORK AT MACALESTER COLLEGE BEFORE MY

TENURE REVIEW

19. Alam S. Hasson, Keith T. Kuwata, Manuel C. Arroyo, and Erin B. Petersen,* “Theoretical Studies of the Reaction of Hydroperoxy Radicals (HO2) with Ethyl Peroxy (CH3CH2O2), Acetyl Peroxy (CH3C(O)O2), and Acetonyl Peroxy (CH3C(O)CH2O2) Radicals,” Journal of Photochemistry and Photobiology A: Photochemistry, 2005, 176, 218-230.

20. Keith T. Kuwata, Alam S. Hasson, Ray V. Dickinson, Erin B. Petersen,* and Lukas C. Valin,* “Quantum Chemical and Master Equation Simulations of the Oxidation and Isomerization of Vinoxy Radicals,” Journal of Physical Chemistry A, 2005, 109, 2514-2524.

21. Keith T. Kuwata, Kristen L. Templeton,* and Alam S. Hasson, “Computational Studies of the Chemistry of Syn Acetaldehyde Oxide,” Journal of Physical Chemistry A, 2003, 107, 11525-11532.

22. Keith T. Kuwata, Rachel I. Erickson,* and James R. Doyle, “A Comparative Study of Interatomic Potentials for Copper and Aluminum Gas Phase Sputter Atom Transport Simulations,” Nuclear Instruments and Methods in Physics Research B, 2003, 201, 566-570.

23. Alam S. Hasson, Myeong Y. Chung, Keith T. Kuwata, Amber D. Converse,* Debra Krohn, and Suzanne E. Paulson, “Reaction of Criegee Intermediates with Water Vapor – An Additional Source of OH Radicals in Alkene Ozonolysis?” Journal of Physical Chemistry A, 2003, 107, 6176-6182.

D. ARTICLES BASED ON POSTDOCTORAL WORK

24. Daniel A. Singleton, Chao Hang, Michael J. Szymanski, Matthew P. Meyer, Andrew G. Leach, Keith T. Kuwata, Jenny S. Chen, Alexander Greer, Christopher S. Foote, and K. N. Houk, “Mechanism of Ene Reactions of Singlet Oxygen. A

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Two-Step No-Intermediate Mechanism,” Journal of the American Chemical Society, 2003, 125, 1319-1328.

25. Leif P. Olson, Keith T. Kuwata, Michael D. Bartberger, and K. N. Houk, “Conformation-Dependent State Selectivity in O-O Cleavage of ONOONO: An ‘Inorganic Cope Rearrangement’ Helps Explain the Observed Negative Activation Energy in the Oxidation of Nitric Oxide by Dioxygen,” Journal of the American Chemical Society 2002, 124, 9469-9475.

26. Alam S. Hasson, Andy W. Ho, Keith T. Kuwata, and Suzanne E. Paulson, “Production of Stabilized Criegee Intermediates and Peroxides in the Gas Phase Ozonolysis of Alkenes: 2. Asymmetric and Biogenic Alkenes,” Journal of Geophysical Research, 2001, 106, 34143-34153.

27. Jill D. Fenske, Alam S. Hasson, Suzanne E. Paulson, Keith T. Kuwata, Andy Ho, and K. N. Houk, “The Pressure Dependence of the OH Radical Yield from Ozone-Alkene Reactions,” Journal of Physical Chemistry A, 2000, 104, 7821-7833.

28. Jill D. Fenske, Keith T. Kuwata, K. N. Houk, and Suzanne E. Paulson, “OH Radical Yields from the Ozone Reaction with Cycloalkenes,” Journal of Physical Chemistry A, 2000, 104, 7246-7254.

E. ARTICLES BASED ON GRADUATE AND UNDERGRADUATE WORK

29. Matthew S. Johnson, Keith T. Kuwata, and Mitchio Okumura, “Description of the Valence Molecular Orbitals of ClONO2 from He(I) Photoelectron Spectroscopy and Ab Initio Calculations,” Asian Chemistry Letters, 2003, 7, 21-29.

30. Jong-Ho Choi, Keith T. Kuwata, Yi-Bin Cao, and Mitchio Okumura, “Vibrational Spectroscopy of the Cl(H2O)n Anionic Clusters, n = 1-5,” Journal of Physical Chemistry A, 1998, 102, 503-507.

31. Jong-Ho Choi, Keith T. Kuwata, Yi-Bin Cao, Bernd-Michael Haas, and Mitchio Okumura, “Protonation of Chlorine Nitrate and Nitric Acid: Identification of Isomers by Vibrational Spectroscopy,” Journal of Physical Chemistry A, 1997, 101, 6753-6760.

32. Matthew S. Johnson, Keith T. Kuwata, Chi-Kin Wong, and Mitchio Okumura, “Vibrational Spectroscopy of I(H2O)n,” Chemical Physics Letters, 1996, 260, 551-557.

33. Bernd-Michael Haas, Kevin C. Crellin, Keith T. Kuwata, and Mitchio Okumura, “Reactions of Chloride Ions with Chlorine Nitrate and Its Implications for Stratospheric Chemistry,” Journal of Physical Chemistry, 1994, 98, 6740-6745.

34. Jong-Ho Choi, Keith T. Kuwata, Bernd-Michael Haas, Yibin Cao, Matthew S. Johnson, and Mitchio Okumura, “Vibrational Spectroscopy of NO+(H2O)n: Evidence for the Intracluster Reaction NO+(H2O)n H3O+(H2O)n-2(HONO) at n 4,” Journal of Chemical Physics, 1994, 100, 7153-7165.

35. Kerry K. Karukstis, Martin A. Berliner, Christopher J. Jewell, and Keith T. Kuwata, “Chlorophyll Fluorescence Measurements to Assess the Competition of Substituted

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Anthraquinones for the QB Binding Site,” Biochimica et Biophysica Acta, 1990, 1020, 163-168.

36. Kerry K. Karukstis, Martin A. Berliner, and Keith T. Kuwata, “Analysis of Charge Distribution in Substituted Anthraquinones to Assess Affinity for the QB Binding Site,” Biochimica et Biophysica Acta, 1990, 1020, 169-175.

IV. PRESENTATIONS

A. Invited Seminars

1. Keith T. Kuwata, “Mechanistic Studies of Alkene Ozonolysis with Quantum Chemistry and Statistical Rate Theory,” Department of Chemistry, University of San Diego, 21 March 2019.

2. Keith T. Kuwata, Kristen L. Templeton, Matthew J. Carlson, Matthew R. Hermes, Cheryl K. Zogg, Lina Luu, Alexander B. Weberg, Ke Huang, Nathan B. Rackstraw, Minji Kim, and Liam A. Peebles, “Quantum Chemical and Statistical Rate Theory Investigations of Atmospheric Oxidation Reaction Pathways,” Division of Chemistry, National Science Foundation, 15 November 2017.

3. Keith T. Kuwata, “Challenges in Achieving Accurate Quantum Chemical Predictions for Atmospheric Reactions,” Atmospheric Chemical Mechanisms Conference, University of California, Davis, Davis, CA, 8 December 2016.

4. Keith T. Kuwata, Matthew J. Carlson, Olivia V. Doe, Matthew R. Hermes, Ke Huang, Minji Kim, Lina Luu, Rebecca N. Meier, Ruth A. Pardini, Nathan B. Rackstraw, Tristan K. Truttmann, Alexander B. Weberg, and Cheryl K. Zogg, “Mechanistic Studies of Peroxy Species in the Troposphere and in Organic Synthesis,” Department of Chemistry, Whitworth University, Spokane, WA, 16 November 2016.

5. Keith T. Kuwata, Matthew J. Carlson, Jenna A. Fernandez, Emily J. Guinn, Matthew R. Hermes, and Cheryl K. Zogg, “Reactions of Peroxy Species in the Troposphere: The Impact of Conformation,” Organic/Chemical Biology Seminar, University of Nebraska, Lincoln, NE, 24 August 2015.

6. Keith T. Kuwata, “Recent Advances in Quantum Chemical Predictions of the Atmospheric Reactivity of Criegee Intermediates,” Atmospheric Chemical Mechanisms Conference, University of California, Davis, Davis, CA, 11 December 2014.

7. Keith T. Kuwata, Matthew J. Carlson, Amber D. Converse, Jenna A. Goodrich, Emily J. Guinn, Matthew R. Hermes, Brianna J. Kujala, Jon M. Mathison, Zachary W. Morrow, Erin B. Petersen, Emily Sliz, Kristen L. Templeton, Elena Tonc, Lukas C. Valin, and Cheryl K. Zogg, “Quantum Chemical and Statistical Rate Theory Modeling of Hydrocarbon Oxidation Reactions in the Troposphere,” Department of Chemistry, University of Copenhagen, Copenhagen, Denmark, 19 September 2013.

8. Keith T. Kuwata, Matthew J. Carlson, Amber D. Converse, Jenna A. Goodrich, Emily J. Guinn, Matthew R. Hermes, Brianna J. Kujala, Zachary W. Morrow,

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Erin B. Petersen, Emily Sliz, Kristen L. Templeton, Elena Tonc, Lukas C. Valin, and Cheryl K. Zogg, “Computational Studies of Chemically Activated Species in the Troposphere,” Department of Chemistry, Carleton College, Northfield, MN, 17 February 2012.

9. Keith T. Kuwata, Matthew J. Carlson, Amber D. Converse, Jenna A. Goodrich, Emily J. Guinn, Matthew R. Hermes, Brianna J. Kujala, Zachary W. Morrow, Erin B. Petersen, Emily Sliz, Kristen L. Templeton, Elena Tonc, Lukas C. Valin, and Cheryl K. Zogg, “What Experiment Can’t Tell Us: Computational Studies of Reactive Intermediates in the Troposphere,” Department of Chemistry, University of Saint Thomas, Saint Paul, MN, 7 October 2011.

10. Keith T. Kuwata, Matthew J. Carlson, Amber D. Converse, Emily J. Guinn, Matthew R. Hermes, Brianna J. Kujala, Zachary W. Morrow, Erin B. Petersen, Emily Sliz, Kristen L. Templeton, Elena Tonc, Lukas C. Valin, and Cheryl K. Zogg, “What Experiment Can’t Tell Us: Computational Studies of Reactive Intermediates in the Troposphere,” Department of Chemistry, Hamline University, Saint Paul, MN, 9 March 2011.

11. Keith T. Kuwata, “Developing an Elective Course on Applications of Electronic Structure Theory,” 21st Biennial Conference on Chemical Education, University of North Texas, Denton, TX, 4 August 2010.

12. Keith T. Kuwata, Amber D. Converse, Peter A. Dillon, Ilhan Findik, Solaire Finkenstaedt-Quinn, Emily J. Guinn, Brianna J. Kujala, Matthew R. Hermes, Kara J. Manke, Zachary W. Morrow, Erin B. Petersen, Emily Sliz, Julia S. Stanfield, Kristen L. Templeton, and Lukas C. Valin, “Computational Studies of Reactive Intermediates in the Troposphere,” Department of Chemistry, Reed College, Portland, OR, 13 November 2008.

13. Keith T. Kuwata, Amber D. Converse, Peter A. Dillon, Ilhan Findik, Solaire Finkenstaedt-Quinn, Emily J. Guinn, Brianna J. Kujala, Matthew R. Hermes, Kara J. Manke, Zachary W. Morrow, Erin B. Petersen, Emily Sliz, Julia S. Stanfield, Kristen L. Templeton, and Lukas C. Valin, “Computational Studies of Reactive Intermediates in the Troposphere,” Department of Chemistry, Gustavus Adolphus College, Saint Peter, MN, 19 September 2008.

14. Keith T. Kuwata, Amber D. Converse, Peter A. Dillon, Brianna J. Kujala, Matthew R. Hermes, Kara J. Manke, Zachary W. Morrow, Erin B. Petersen, Emily Sliz, Julia S. Stanfield, Kristen L. Templeton, and Lukas C. Valin, “Computational Studies of the Chemistry and Thermalization of Activated Species,” Department of Chemistry, Occidental College, Los Angeles, CA, 4 December 2006.

15. Keith T. Kuwata, Amber D. Converse, Peter A. Dillon, Brianna J. Kujala, Erin B. Petersen, Julia S. Stanfield, Kristen L. Templeton, and Lukas C. Valin, “Computational Studies of the Fates of Ozonolysis Intermediates in the Troposphere,” Department of Chemistry, College of Saint Benedict/Saint John’s University, Saint Joseph, MN, 16 March 2006.

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16. Keith T. Kuwata, “Quantum Chemical Studies of Ozone-Derived Organic Aerosol Precursors,” Atmospheric Aerosol Aging Workshop, Telluride Science Research Center, Telluride, CO, 11 August 2004.

17. Keith T. Kuwata, “Oxidation Reactions in the Troposphere,” Research Site for Educators in Chemistry, University of Minnesota—Twin Cities, Minneapolis, MN, 7 July 2004.

18. Keith T. Kuwata, Alam S. Hasson, Ray V. Dickinson, Erin B. Petersen, and Lucas C. Valin, “Computational Studies of Chemically Activated Ozonolysis Intermediates,” 227th National Meeting, American Chemical Society, Division of Computers in Chemistry, Anaheim, CA, 31 March 2004.

19. Keith T. Kuwata, “Quantum Chemical Studies of Oxidation Reactions in the Troposphere,” Department of Chemistry, Hamline University, Saint Paul, MN, 1 October 2003.

20. Keith T. Kuwata, “Experimental and Computational Studies of Stratospheric Ozone Depletion,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 16 August 2003.

21. Keith T. Kuwata, “Benefits of Teaching During a Research-Focused Postdoc,” 225th National Meeting, American Chemical Society, Division of Chemical Education, New Orleans, LA, 26 March 2003.

B. Contributed Presentations at National or International Meetings

1. Keith T. Kuwata, Marla P. DeVault, and Duncan J. Claypool, “A Theoretical Re-investigation of the Acetylperoxy + HO2 Reaction,” Gordon Research Conference on Atmospheric Chemistry, Newry, ME, 30 July 2019. (poster)

2. Keith T. Kuwata, “High-Level Ab Initio and Statistical Rate Theory Treatments of Peroxy Species in Tropospheric Chemistry,” 256th National Meeting, American Chemical Society, Division of Physical Chemistry, Boston, MA, 22 August 2018. (talk)

3. Keith T. Kuwata and Marla P. DeVault, “High-Accuracy Electronic Structure Calculations of the Acetylperoxy/HO2 Reaction Mechanism,” 255th National Meeting, American Chemical Society, Division of Physical Chemistry, New Orleans, LA, 21 March 2018. (poster)

4. Keith T. Kuwata, “Quantum Chemical and Statistical Rate Theory Investigations of Atmospheric Oxidation Reactive Intermediates,” 254th National Meeting, American Chemical Society, Division of Physical Chemistry, Washington, D.C., 23 August 2017. (talk)

5. Keith T. Kuwata, “Quantum Chemical Studies of Ether Formation with Peroxide Reagents,” 253rd National Meeting, American Chemical Society, Division of Physical Chemistry, San Francisco, CA, 5 April 2017. (poster)

6. Keith T. Kuwata, “Using Computation to Clarify the Atmospheric Reactivity of the Vinyl Hydroperoxide,” 252nd National Meeting, American Chemical Society, Division of Physical Chemistry, Philadelphia, PA, 22 August 2016. (talk)

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7. Keith T. Kuwata, “Advances in Computational Modeling of the Atmospheric Chemistry of the Criegee Intermediate,” 251th National Meeting, American Chemical Society, Division of Physical Chemistry, San Diego, CA, 16 March 2016. (poster)

8. Keith T. Kuwata, Emily J. Guinn, Matthew R. Hermes, and Jenna A. Fernandez, “Comprehensive Theoretical Mechanism for the Criegee Intermediate-Sulfur Dioxide Reaction,” 249th National Meeting, American Chemical Society, Division of Physical Chemistry, Denver, CO, 26 March 2015. (poster)

9. Keith T. Kuwata, “Quantum Chemical Modeling of Atmospheric Free Radical Production from Vinyl Hydroperoxides,” 248th National Meeting, American Chemical Society, Division of Environmental Chemistry, San Francisco, CA, 11 August 2014. (talk)

10. Keith T. Kuwata, Jenna A. Goodrich, Matthew R. Hermes, and Emily J. Guinn, “Quantum Chemical and Master Equation Studies of the Reaction of the Criegee Intermediate with Sulfur Dioxide,” 245th National Meeting, American Chemical Society, Division of Physical Chemistry, New Orleans, LA, 10 April 2013. (poster)

11. Keith T. Kuwata, Julia S. Stanfield, and Cheryl K. Zogg, “Quantum Chemical Studies of the Hyperconjugative Captodative Effect,” 243rd National Meeting, American Chemical Society, Division of Physical Chemistry, San Diego, CA, 28 March 2012. (poster)

12. Keith T. Kuwata, Patrick H. Dussault, Solaire A. Finkenstaedt-Quinn, and Matthew J. Carlson, “Quantum Chemical Explorations of the Conformations and Fragmentation Mechanisms of Anionic Peroxyacetals,” 241st National Meeting, American Chemical Society, Division of Physical Chemistry, Anaheim, CA, 30 March 2011. (poster)

13. Keith T. Kuwata, Matthew R. Hermes, and Matthew J. Carlson, “Statistical Rate Theory Treatment of Criegee Intermediate Reactions in the Troposphere,” 239th National Meeting, American Chemical Society, Division of Physical Chemistry, San Francisco, CA, 24 March 2010. (poster)

14. Keith T. Kuwata, Emily J. Guinn, and Matthew R. Hermes, “Computational Modeling of Atmospheric Reactions of Carbonyl Oxides,” 237th National Meeting, American Chemical Society, Division of Physical Chemistry, Salt Lake City, UT, 25 March 2009. (poster)

15. Keith T. Kuwata, Theodore S. Dibble, Emily Sliz, and Erin B. Petersen, “Transition State Theory Rate Constants for Intramolecular Hydrogen Transfer Reactions in Oxygenated Radicals,” 235th National Meeting, American Chemical Society, Division of Computers in Chemistry, New Orleans, LA, 9 April 2008. (talk)

16. Keith T. Kuwata, “Introducing Students to Research in Computational Kinetics,” 232nd National Meeting, American Chemical Society, Division of Chemical Education, San Francisco, CA, 13 September 2006. (talk)

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17. Keith T. Kuwata, Amber D. Converse, Brianna J. Kujala, and Lucas C. Valin, “Computational Studies of Isoprene and Cycloalkene Ozonolysis,” 231st National Meeting, American Chemical Society, Division of Physical Chemistry, Atlanta, GA, 27 March 2006. (talk)

18. Keith T. Kuwata, Lukas C. Valin, and Amber D. Converse, “Quantum Chemical and Master Equation Simulations of Isoprene Ozonolysis,” 229th National Meeting, American Chemical Society, Division of Physical Chemistry, San Diego, CA, 16 March 2005. (poster)

19. Theodore S. Dibble, Keith T. Kuwata, and Erin B. Petersen, “Theoretical Studies of Tunneling in Alkoxy and Alkylperoxy Radicals,” 229th National Meeting, American Chemical Society, Division of Physical Chemistry, San Diego, CA, 16 March 2005. (poster)

20. Keith T. Kuwata, Kristen L. Templeton, and K. N. Houk, “Computational Studies of Alkene Ozonolysis Intermediates,” 223rd National Meeting, American Chemical Society, Division of Physical Chemistry, Orlando, FL, 11 April 2002. (talk)

21. Keith T. Kuwata and Kristen L. Templeton, “Computational Studies of Alkene Ozonolysis Intermediates.” Gordon Research Conference in Atmospheric Chemistry, Salve Regina University, Newport, RI, 20 June 2001. (poster)

22. Keith T. Kuwata, Jill D. Fenske, Suzanne E. Paulson, and K. N. Houk, “Computational Studies of OH Radical Generation from Alkene Ozonolysis,” 219th National Meeting, American Chemical Society, Division of Physical Chemistry, San Francisco, CA, 29 March 2000. (poster)

23. Keith T. Kuwata, Myeong Chung, Suzanne E. Paulson, and K. N. Houk, “Computational Studies of the Gas-Phase Ozonolysis of 1-Alkenes,” 217th National Meeting, American Chemical Society, Division of Organic Chemistry, Anaheim, CA, 23 March 1999. (talk)

24. Jong-Ho Choi, Yi-Bin Cao, Keith T. Kuwata, and Mitchio Okumura, “Vibrational Predissociation Spectroscopy of Cl-(H2O)n (n=1-5),” Fiftieth Annual International Symposium on Molecular Spectroscopy, The Ohio State University, Columbus, OH, 15 June 1995. (talk)

25. Keith T. Kuwata, William A. Goddard III, and Mitchio Okumura, “Ab Initio Calculations of Negative Ion Reactions of Chlorine Reservoir Species,” Fall National Meeting, American Geophysical Union, Atmospheric Sciences Section, San Francisco, CA, 8 December 1993. (talk)

C. Contributed Presentations at Regional or Local Meetings

26. Keith T. Kuwata, Theodore S. Dibble, Emily Sliz, and Erin B. Petersen, “Quantum Chemistry and Computational Kinetics of the Hydrogen Shift Reactions in the -Hydroxyethylperoxy and -Hydroxyethoxy Radicals,” 39th Midwest Theoretical Chemistry Conference, Indiana University, Bloomington, IN, 28 June 2007. (poster)

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27. Keith T. Kuwata, Kristen L. Templeton, K. N. Houk, and Suzanne E. Paulson, “Computational Studies of Alkene Ozonolysis Intermediates,” 34th Midwest Theoretical Chemistry Conference, University of Minnesota—Twin Cities, Minneapolis, MN, 5 October 2001. (poster)

28. Keith T. Kuwata, K. N. Houk, and Suzanne E. Paulson, “Computational Studies of Alkene Ozonolysis,” Seventeenth Annual Symposium on Kinetics and Photochemical Processes in the Atmosphere, University of California, Irvine, CA, 29 February 2000. (poster)

29. Keith T. Kuwata, Suzanne E. Paulson, and K. N. Houk, “Computational Studies of the Ozonolysis of 1-Alkenes,” Sixteenth Annual Symposium on Kinetics and Photochemical Processes in the Atmosphere, California State University, Los Angeles, CA, 18 February 1999. (talk)

30. Keith T. Kuwata, Thomas Schindler, Jong-Ho Choi, and Mitchio Okumura, “Vibrational Spectroscopy of Solvated Chloride Clusters.” American Chemical Society Thirty-Third Western Regional Meeting (Pacific Conference on Chemistry and Spectroscopy), Irvine, CA, 23 October 1997. (talk)

31. Keith T. Kuwata and Mitchio Okumura, “Ab Initio Calculations of Negative Ion Reactions of Chlorine Reservoir Species.” Eleventh Annual Symposium on Kinetics and Photochemical Processes in the Atmosphere, DGA and Associates, Ventura, CA, 18 January 1994. (talk)

D. Off-Campus Presentations by My Research Students

Hannah Gilbert and Keith T. Kuwata, “Computational Modeling of Isoprene Ozonolysis Reaction Intermediates Following 1,2-Addition,” Midstates Consortium for Math and Science Undergraduate Research Symposium, Washington University in St. Louis, St. Louis, MO, 10 November 2018.

Zachary Fried and Keith T. Kuwata, “Computational Investigation of Isoprene Ozonolysis Reaction Pathways after 3,4-Addition,” Midwest Undergraduate Computational Chemistry Conference, University of Minnesota, Minneapolis, MN, 24 July 2018.

Hannah Gilbert and Keith T. Kuwata, “Computational Modeling of Isoprene Ozonolysis Reaction Intermediates Following 1,2-Addition,” Midwest Undergraduate Computational Chemistry Conference, University of Minnesota, Minneapolis, MN, 24 July 2018.

Haruhiko Kuramochi and Keith T. Kuwata, “Targeted Trifluoromethoxyl Transfer: Lithiated Alkyl Reagents with Nucleophilic Carbon,” Midwest Undergraduate Computational Chemistry Conference, University of Minnesota, Minneapolis, MN, 23 July 2018.

Li Fan and Keith T. Kuwata, “Intramolecular Spiroether Synthesis from Peroxy Enolates,” 255th National Meeting, American Chemical Society, Division of Chemical Education, New Orleans, LA, 19 March 2018.

Minji Kim and Keith T. Kuwata, “Quantum Chemical Calculations of

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Bimolecular Etherification Reaction of Trifluoromethyl Peroxides and Grignard Reagents,” 255th National Meeting, American Chemical Society, Division of Chemical Education, New Orleans, LA, 19 March 2018.

Haruhiko Kuramochi and Keith T. Kuwata, “Targeted Trifluoromethoxyl Transfer: Lithiated Alkyl Reagents with Nucleophilic Carbon,” 255th National Meeting, American Chemical Society, Division of Chemical Education, New Orleans, LA, 19 March 2018.

Li Fan and Keith T. Kuwata, “Computational Studies of Intramolecular Spiroether Synthesis from Peroxy Enolates,” Midstates Consortium for Math and Science Undergraduate Research Symposium, The University of Chicago, Chicago, IL, 4 November 2017.

Marla DeVault and Keith T. Kuwata, “A Computational Investigation of Acetyl Peroxy Radical Reacting with Hydroperoxy Radical in the Atmosphere,” Annual Beckman Symposium, Arnold and Mabel Beckman Center of the National Academies of Science and Engineering, Irvine, CA, 3 August 2017.

Marla DeVault and Keith T. Kuwata “A Computational Investigation of Acetyl Peroxy Radical Reacting with Hydroperoxy Radical in the Atmosphere,” Midwest Undergraduate Computational Chemistry Conference, University of Illinois at Urbana-Champaign, Champaign, IL, 31 July 2017.

Li Fan and Keith T. Kuwata, “Computational Studies of Intramolecular Spiroether Synthesis from Peroxy Enolates,” Midwest Undergraduate Computational Chemistry Conference, University of Illinois at Urbana-Champaign, Champaign, IL, 31 July 2017.

Minji Kim and Keith T. Kuwata, “Quantum Chemical Calculations on Bimolecular Etherification Reaction with Grignard Reagents,” Midwest Undergraduate Computational Chemistry Conference, University of Illinois at Urbana-Champaign, Champaign, IL, 31 July 2017.

Haruhiko Kuramochi and Keith T. Kuwata, “Targeted Trifluoromethoxyl Transfer: Lithiated Alkyl Reagents with Nucleophilic Carbon,” Midwest Undergraduate Computational Chemistry Conference, University of Illinois at Urbana-Champaign, Champaign, IL, 31 July 2017.

Liam Peebles and Keith T. Kuwata, “A Computational Examination of the Oxidation of Atmospheric Vinoxy Radicals,” Midwest Undergraduate Computational Chemistry Conference, University of Illinois at Urbana-Champaign, Champaign, IL, 31 July 2017.

Nathan Rackstraw and Keith T. Kuwata, “A Quantum Chemical Investigation into the Excited States of AuS,” Midwest Undergraduate Computational Chemistry Conference, University of Illinois at Urbana-Champaign, Champaign, IL, 31 July 2017.

Marla DeVault and Keith T. Kuwata, “Computational Investigation of Hydroperoxyl Radical Reacting with Acetyl Peroxy Radical,” 253rd National

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Meeting, American Chemical Society, Division of Physical Chemistry, San Francisco, CA, 5 April 2017.

Olivia Doe and Keith T. Kuwata, “Peroxide Project,” Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin-Madison, Madison, WI, 22 July 2016.

Marla DeVault and Keith T. Kuwata, “Ketoconazole and Organic Peroxy Radicals: A Tale of Two Projects,” Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin-Madison, Madison, WI, 21 July 2016.

Minji Kim and Keith T. Kuwata, “Quantum Chemical Calculations of Simple Ozonolysis,” Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin-Madison, Madison, WI, 21 July 2016.

Nathan Rackstraw and Keith T. Kuwata, “Unimolecular Reactions of a Vinyl Hydroperoxide,” Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin-Madison, Madison, WI, 21 July 2016.

Marla DeVault and Keith T. Kuwata, “A Computational Investigation of Organic Peroxy Radicals Reacting with Hydroperoxy Radicals in the Atmosphere,” Associated Colleges of the Twin Cities Chemistry Summer Symposium, Bethel University, St. Paul, MN, 20 July 2016.

Marla DeVault and Keith T. Kuwata, “Investigation of Oxo-Substituted Peroxy Radicals Reaction with HO2 in the Atmosphere,” 251st National Meeting, American Chemical Society, Division of Chemical Education, San Diego, CA, 14 March 2016.

Ke Huang and Keith T. Kuwata, “Computational Studies on the Decomposition Pathways of Vinylhydroperoxide,” 251st National Meeting, American Chemical Society, Division of Chemical Education, San Diego, CA, 14 March 2016.

Ke Huang and Keith T. Kuwata, “Computational Studies on Vinylhydroperoxide Decomposition Pathways,” 2015 Midstates Consortium for Math and Science Undergraduate Research Symposium, The University of Chicago, Chicago, IL, 14 November 2015.

Duncan Claypool, Marla DeVault, and Keith T. Kuwata, “An Investigation of Oxo-substituted Peroxy Radicals Reacting With HO2 in the Atmosphere,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 25 July 2015.

Tristan Truttmann and Keith T. Kuwata, “Quantum Chemical Studies of a New Pathway to Ethers,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 25 July 2015.

Ke Huang and Keith T. Kuwata, “Computational Studies on Vinylhydroperoxide Decomposition Pathways,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 24 July 2015.

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Lawrence Furan and Keith T. Kuwata, “Computational Mechanistic Study on Hexadehydro-Diels-Alder Reactions,” 249th National Meeting, American Chemical Society, Division of Organic Chemistry, Denver, CO, 22 March 2015.

Andrew Olinger and Keith T. Kuwata, “Modifications to Alkene Ozonolysis with Nitrogeneous Adducts,” Midwest Undergraduate Computational Chemistry Conference, University of Michigan, Ann Arbor, MI, 22 July 2013.

Lawrence Furan and Keith T. Kuwata, “Theoretical Kinetics and Mechanism of the Hexadehydro Diels-Alder Reaction,” Midwest Undergraduate Computational Chemistry Conference, University of Michigan, Ann Arbor, MI, 22 July 2013.

Jon Mathison and Keith T. Kuwata, “Oxidation of Sulfur Dioxide by a Derivative of the Criegee Intermediate,” Midwest Undergraduate Computational Chemistry Conference, University of Michigan, Ann Arbor, MI, 22 July 2013.

Jenna Goodrich and Keith T. Kuwata “Computational Modeling of the Bimolecular Criegee Intermediate and SO2 Atmospheric Reaction Mechanism,” Midwest Undergraduate Computational Chemistry Conference, University of Minnesota, Minneapolis, MN, 16 July 2012.

Andrew Olinger and Keith T. Kuwata, “Quantum Mechanical Simulations of Modifications to Alkene Ozonolysis with Nitrogeneous Adducts,” Midwest Undergraduate Computational Chemistry Conference, University of Minnesota, Minneapolis, MN, 16 July 2012.

Jenna Goodrich and Keith T. Kuwata, “Computational Modeling of the Bimolecular Criegee Intermediate and SO2 Atmospheric Reaction Mechanism,” Midwest Undergraduate Computational Chemistry Conference, University of Chicago, Chicago, IL, 25 July 2011.

Elena Tonc and Keith T. Kuwata, “Computational Studies of Atmospheric Reactions of Carbene Hydroperoxides,” Midwest Undergraduate Computational Chemistry Conference, University of Chicago, Chicago, IL, 25 July 2011.

Elena Tonc and Keith T. Kuwata, “Quantum Mechanical Simulations of Reactions Between Ozonolysis Intermediates and Water,” 2010 Midstates Consortium for Math and Science Undergraduate Research Symposium, Washington University in Saint Louis, Saint Louis, MO, 13 November 2010.

Elena Tonc and Keith T. Kuwata, “Quantum Mechanical Simulations of Reactions Between Ozonolysis Intermediates and Water,” Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin-Madison, Madison, WI, 27 July 2010.

Zachary Wickens and Keith T. Kuwata, “Influence of Phenol Substituent Patterning on Hydrogen Atom Transfers,” Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin-Madison, Madison, WI, 27 July 2010.

Cheryl Zogg and Keith T. Kuwata, “Computational Analysis of Nitrogen Radicals: Hyperconjugative Captodative Effects in Disubstituted Methylamines,”

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Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin-Madison, Madison, WI, 27 July 2010.

Cheryl Zogg and Keith T. Kuwata, “Mechanistic Explorations of the Carbonyl Oxide-Nitrogen Dioxide Reaction,” 239th National Meeting, American Chemical Society, Division of Chemical Education, San Francisco, CA, 22 March 2010. (poster)

Matthew Hermes and Keith T. Kuwata, “Study of Criegee Intermediate and Sulfur Dioxide Reaction Paths Using Quantum Chemical and RRKM Methods,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 29 July 2009.

Matthew Carlson and Keith T. Kuwata, “Trans-2-Butene Ozonolysis: Mechanism and Atmospheric Implications,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 27 July 2009.

Cheryl Zogg and Keith T. Kuwata, “Mechanistic Explorations of the Carbonyl Oxide-Nitrogen Dioxide Reaction,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 27 July 2009.

Amanda Hulke and Keith T. Kuwata, “Determining Trace Selenium Concentrations Using Hydride Generation: A Study on Mercury Sequestration with Common Loons,” 2008 Midstates Consortium for Math and Science Undergraduate Research Symposium, Washington University in Saint Louis, Saint Louis, MO, 1 November 2008.

Matthew Hermes and Keith T. Kuwata, “Computational Modeling of Reactions of Substituted Criegee Intermediates,” 2008 MERCURY Conference on Undergraduate Computational Chemistry, Hamilton College, Clinton, NY, 4 August 2008.

Amanda Hulke and Keith T. Kuwata, “Quantifying Mercury Content in Loon Feathers Using Cold Vapor Atomic Absorption Spectrometry,” 2007 Midstates Consortium for Math and Science Undergraduate Research Symposium, University of Chicago, Chicago, IL, 11 November 2007.

Emily Guinn and Keith T. Kuwata, “Computational Analysis of Bimolecular Processes Involving Carbonyl Oxides in the Atmosphere,” 2007 Midstates Consortium for Math and Science Undergraduate Research Symposium, University of Chicago, Chicago, IL, 10 November 2007.

Ilhan Findik and Keith T. Kuwata, “Effect of Ammonium Oxides on Mechanistic Pathways of Ozonolysis,” Midwest Undergraduate Computational Chemistry Conference, University of Illinois, Urbana, IL, 1 August 2007.

Emily Guinn and Keith T. Kuwata, “A Computational Analysis of Bimolecular Processes for Atmospheric Carboxylic Acid Formation,” Midwest Undergraduate Computational Chemistry Conference, University of Illinois, Urbana, IL, 1 August 2007.

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Julia Stanfield and Keith T. Kuwata, “Probing the Hyperconjugative Captodative Effect by Quantum Chemistry,” 2006 Pew Undergraduate Research Symposium in Mathematics and the Physical Sciences, Washington University, Saint Louis, MO, 4 November 2006.

Emily Sliz and Keith T. Kuwata, “Oxidation of Ethene in the Troposphere: Fate of the -Hydroxyethylperoxy Radical,” Midwest Undergraduate Computational Chemistry Conference, Iowa State University, Ames, IA, 2 August 2006.

Julia Stanfield and Keith T. Kuwata, “Probing the Hyperconjugative Captodative Effect by Quantum Chemistry,” Midwest Undergraduate Computational Chemistry Conference, Iowa State University, Ames, IA, 2 August 2006.

Brianna Kujala and Keith T. Kuwata, “Computational Studies of the Atmospheric Impact of Cycloalkene Ozonolysis,” 2005 Pew Undergraduate Research Symposium in Mathematics and the Physical Sciences, The University of Chicago, Chicago, IL, 6 November 2005.

Julia Stanfield and Keith T. Kuwata, “Probing the Hyperconjugative Captodative Effect by Quantum Chemistry,” Midwest Undergraduate Computational Chemistry Conference, University of Minnesota, Minneapolis, MN, 12 July 2005.

Brianna Kujala and Keith T. Kuwata, “Computational Studies of the Atmospheric Impact of Cycloalkene Ozonolysis,” Midwest Undergraduate Computational Chemistry Conference, University of Minnesota, Minneapolis, MN, 11 July 2005.

Erin Petersen and Keith T. Kuwata, “Acetonylperoxy Radical: A Computational Examination and Comparison of Molecular Pathways of Reaction with HO2 Radicals in the Atmosphere,” Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin, Madison, WI, 3 August 2004.

Lukas Valin and Keith T. Kuwata, “Using Quantum Chemical Methods and RRKM Calculations to Determine Hydroxyl Radical Yield in the Ozonolysis of Isoprene,” Midwest Undergraduate Computational Chemistry Conference, University of Wisconsin, Madison, WI, 3 August 2004.

Lukas Valin and Keith T. Kuwata, “Finding Possible Mechanistic Pathways for Dimethyl- and Methyl-Vinyl-Substituted Carbonyl Oxides,”2003 Pew Undergraduate Research Symposium in Mathematics and the Physical Sciences, The University of Chicago, Chicago, IL, 15 November 2003.

Erin Petersen and Keith T. Kuwata, “Conformation in Ozonolysis,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 15 August 2003.

Lukas Valin and Keith T. Kuwata, “Finding Possible Mechanistic Pathways for Dimethyl- and Methyl-Vinyl-Substituted Carbonyl Oxides,” Midwest Undergraduate Computational Chemistry Conference, Northwestern University, Evanston, IL, 15 August 2003.

Amber Converse and Keith T. Kuwata, “Ozonolysis: Studying the Earth’s Atmosphere Using Computational Chemistry,” 2002 Pew Undergraduate

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Research Symposium in Mathematics and the Physical Sciences, Washington University, Saint Louis, MO, 3 November 2002.

V. AWARDS AND GRANTS

A. External Awards and Grants

National Science Foundation Major Research Instrumentation Grant 2019-2022

(“Acquisition of a High Performance Computing Cluster for Undergraduate Chemistry Research and Teaching by the Midwest Undergraduate Computational Chemistry Consortium (MU3C)”; $400,400; co-PI; PI and fellow co-PIs at Carleton College, Hope College, and University of Wisconsin-Stevens Point)

National Science Foundation Grant 2015-2020

(“A New Paradigm for Ether Synthesis”; $390,000 total, $58,108 to me as co-PI; PI is Patrick H. Dussault, University of Nebraska-Lincoln)

National Science Foundation Research at Undergraduate 2014-2018 Institutions Grant

(“Computational Modeling of Hydroxyl Radical and Carboxylic Acid Formation in the Atmosphere”; $300,000; PI; co-PI is Stacey A. Stoffregen at the University of Wisconsin-River Falls)

National Science Foundation Major Research Instrumentation Grant 2010-2014

(“Acquisition of a Computer Cluster for Undergraduate Chemistry Research and Teaching by the Midwest Undergraduate Computational Chemistry Consortium (MU3C)”; $299,942; co-PI; PI and fellow co-PIs at Carleton, Hope, and Wabash Colleges)

National Science Foundation Grant 2008-2011

(“Directed Reactions of Carbonyl Oxides: A New Approach to Ozonolysis”; $360,000 total, $42,375 to me as co-PI; PI was Patrick H. Dussault, University of Nebraska-Lincoln)

Henry Dreyfus Teacher-Scholar Award, Dreyfus Foundation 2006-2011

($60,000 for computational studies of oxidation intermediates)

Type B Grant, American Chemistry Society Petroleum Research Fund 2006-2010

(“Computational Studies of the Atmospheric Chemistry of Alkene Ozonolysis Intermediates”; $50,000)

National Science Foundation Major Research Instrumentation Grant 2005-2009

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(“Acquisition of a Computer Cluster for Research, Research Training, and Teaching”; $379,609; co-PI; PI and fellow co-PIs at Carleton, Gustavus Adolphus, and Hope Colleges)

Sabbatical Funding, National Science Foundation Research Site for Educators in Chemistry, University of Minnesota—Twin Cities 2003-2004

($32,187 to support pre-tenure sabbatical visit in the laboratory of Professor Donald G. Truhlar)

Type G Grant, American Chemistry Society Petroleum Research Fund 2002-2004

(“Quantum Chemical Studies of Isoprene Ozonolysis Intermediates”; $35,000)

National Science Foundation Graduate Research Fellowship 1991-1994

($42,000 stipend)

B. Macalester College Competitive Grants

Violet Olson Beltmann Grants 2002-2017 ($47,510 cumulative for student stipends and research expenses)

Collaborative Summer Research Grants 2006-2017 ($26,350 cumulative for student stipends and research expenses)

Wallace International Travel Grant 2013

($3425 for visit to collaborate with atmospheric chemists at the University of Copenhagen)

Beltmann Fund for Faculty Development in the Natural Sciences 2010 ($1560 for travel to the Biennial Conference on Chemical Education)

Supplemental Faculty Travel and Research Grant 2002 ($1100 for conference expenses

Wallace Research Grant 2001 ($3300 as a summer stipend)

VI. SERVICE

A. Standing Committee on the Petroleum Research Fund, 2018 to Current American Chemical Society (appointed by ACS Board of Directors)

B. Work as a Reviewer

External Reviewer, Hope College Chemistry Department, February 2018.

External Reviewer, Gustavus Adolphus College Chemistry Department, May 2010.

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External Reviewer, Oak Ridge Science Semester Program (Oak Ridge National Laboratory and Denison University), December 2009.

National Science Foundation Panelist: Environmental Molecular Sciences Program (twice); Graduate Research Fellowship Program (4 times); Major Research Instrumentation Program (once); Science Masters Program (once); CCLI Type 1 Proposals (once).

Panelist, National Defense Science and Engineering Graduate Fellowship Program: February 2012, February 2014

External Reviewer, Tenure and Promotion Cases (1 in 2006, 2 in 2009, 2 in 2012, 2 in 2013, 1 in 2014, 1 in 2015, 1 in 2016, 1 in 2018)

Journals (Number of Manuscripts): Journal of Physical Chemistry (77), Journal of Physical Chemistry Letters (2), Journal of the American Chemical Society (4), Journal of Chemical Physics (6), Chemical Physics Letters (21), Chemical Physics (1), Physical Chemistry Chemical Physics (5), Journal of Chemical Theory and Computation (1), Theoretical Chemical Accounts (14), Computational and Theoretical Chemistry (4), Journal of Organic Chemistry (3), Environmental Science and Technology (3), Accounts of Chemical Research (1), Atmospheric Chemistry and Physics (2), Proceedings of the National Academy of Sciences (1), Photochemistry and Photobiology (2), Advances in Quantum Chemistry (1), Canadian Journal of Chemistry (2), Journal of Physical Organic Chemistry (5), International Journal of Chemical Kinetics (4), Nature Communications (3), International Journal of Quantum Chemistry (1), International Journal of Molecular Sciences (5), Bulletin of the Chemical Society of Japan (1), Chemical Data Collections (1), Journal of Undergraduate Chemistry Research (1)

Ad-Hoc Reviewer for Funding Agencies (Number of Proposals): Petroleum Research Fund, American Chemical Society (6), National Science Foundation (4), Research Corporation (1), Kentucky Science and Engineering Foundation (1), Netherlands Organisation for Scientific Research (1), South Carolina EPSCoR/IDeA Program (2)

Books: Mosher, Branan, and Kelter, Chemistry: The Practical Science, 2nd Edition, W. H. Freeman, 2017; Daniel C. Harris, Quantitative Chemical Analysis, 9th Edition, W. H. Freeman, 2015; Thomas G. Spiro, Kathleen L. Purvis-Roberts, and William M. Stigliani, Chemistry of the Environment, 3rd Edition, University Science Books, 2010; Peter Atkins and Loretta Jones, Chemical Principles, 5th Edition, W. H. Freeman, 2008; Douglas A. Skoog, F. James Holler, and Stanley R. Crouch, Principles of Instrumental Analysis, 6th Edition, 2007; Petra Van Koppen and Richard Watts, General Chemistry for the 21st Century, W. H. Freeman, 200x; Thomas Engel and Philip Reid, Thermodynamics, Statistical Thermodynamics, and Kinetics, Benjamin Cummings, 2006; Raymond Chang, Essential Chemistry, 2nd Edition, McGraw-Hill, 2002; Jerry Goodisman, The P-Chem Laboratory Survival Manual.

C. Other Professional Service

Session Co-Presider, “From Potential Energy Surfaces to Dynamics & Kinetics,”

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256th National Meeting, American Chemical Society, Division of Physical Chemistry, Boston, MA, 21 August 2018.

Organizer, Minnesota Analytical Professors Meeting, Macalester College, 13 April 2018 (ten participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 30 January - 1 February 2018 (sixteen participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 6-8 February 2017 (eleven participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 2-4 February 2016 (fifteen participating schools)

Session Co-Presider, “Atmospheric Chemistry: Transformation of Matter in the Troposphere,” 249th National Meeting, American Chemical Society, Division of Physical Chemistry, Denver, CO, 25 March 2015.

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 17-19 February 2015 (fourteen participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 17-19 February 2014 (thirteen participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 5-7 February 2013 (twelve participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 7-9 February 2012 (ten participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 21-23 February 2011 (ten participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 9-11 February 2010 (ten participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 3-5 February 2009 (ten participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 4-6 March 2008 (five participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 20-22 February 2007 (five participating schools)

Co-Organizer, Midwest Undergraduate Computational Chemistry Online Conference, 6-10 February 2006 (five participating schools)

Oak Ridge Science Semester Representative, 2010-2019

Panelist, John Wiley and Sons General Chemistry Summit, Tempe, AZ, 25-27 February 2011

Reader, Advanced Placement Examination in Chemistry, University of Nebraska-Lincoln, 2008 and 2009

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Mentor, Mellon Environmental Research Initiative at Lewis and Clark College (project with Amanda Hulke ’09), 2008 - 2010

Mentor, Preparing Future Faculty program at the University of Minnesota: Evan Anderson, Spring 2017; Jeffrey Buth, Spring 2008

Panelist, Academic Career Workshop, Chemistry Department, University of Minnesota—Twin Cities, 16-18 January 2004

D. Macalester College Research Students

1. Victoria J. Borys (’20) 2019

2. James A. Brink (’20) 2019

3. Holly M. Ellingson (’19) 2019

4. Mitchell Maday (Hamline ’19) 2019

5. Charles K. Ofosu (’19) 2019

6. Claire E. Schmit (’19) 2019

7. Zachary T. Fried (’21) 2018 to 2019

8. Hannah E. Gilbert (’21) 2018 to 2019

9. Li Fan (’19) 2016 to 2018

10. Haruhiko Kuramochi (’19) 2017 to 2018

11. Minji Kim (’19) 2016 to 2017

12. Liam A. Peebles (’18) 2016 to 2017

13. Marla P. DeVault (’17) (Senior Honors Project) 2015 to 2017

14. Nathan B. Rackstraw (’17) 2016 to 2017

15. Olivia V. Doe (’18) 2016

16. Austin J. Parsons (’17) 2016

17. David M. Soro (’17) 2016

18. Tristan K. Truttmann (’17) (Senior Honors Project) 2014 to 2017

19. Qifan Xiao (’18) 2016

20. Ke Huang (’16) (Senior Honors Project) 2015 to 2016

21. Lawrence R. Furan (’16) (Senior Honors Project) 2013 to 2016

22. Duncan J. Claypool (’17) 2015

23. Alexander B. Weberg (’15) 2014 to 2015

24. Coleman L. Egertson (’16) 2014

25. Lina Luu (’16) 2014

26. Rebecca N. Meier (’15) 2014

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27. Enrique A. Pacheco (’16) 2014

28. Ruth A. Pardini (’15) 2014

29. Jon M. Mathison (’16) 2013

30. Andrew M. Olinger (’15) 2012 to 2013

31. Jenna A. Goodrich (’14) 2011 to 2013

32. Elena Tonc (’13) 2010 to 2012

33. Meridith A. Richmond (’12) 2010

34. Zachary A. Wickens (’10) 2010

35. Cheryl K. Zogg (’11) (Seniors Honors Project) 2009 to 2011

36. Matthew J. Carlson (’10) 2009 to 2011

37. Matthew R. Hermes (’09) (Senior Honors Project) 2008 to 2009

38. Solaire A. Finkenstaedt-Quinn (’10) 2008 to 2009

39. Amanda K. Hulke (’09) (Senior Honors Project) 2007 to 2009

40. Emily J. Guinn (’08) (Senior Honors Project) 2007 to 2008

41. Zachary W. Morrow (’08) 2006 to 2008

42. Ilhan Findik (’09) 2007

43. Kara J. Manke (’07) 2006 to 2007

44. Emily Sliz (’08) 2006 to 2007

45. Julia S. Stanfield (’07) 2005 to 2007

46. Brianna J. Kujala (’06) (Senior Honors Project) 2005 to 2006

47. Erin B. Petersen (’05) 2003 to 2005

48. Lukas C. Valin (’05) (Senior Honors Project) 2003 to 2005

49. Peter A. Dillon (’04) 2003 to 2004

50. Amber D. Converse (’04) 2002

51. Kristen L. Templeton (’01) (Senior Honors Project) 2000 to 2001 E. Macalester College Search Committees

Term Position in General and Biochemistry (committee chair) 2018

Term Position in Organic Chemistry (committee chair) 2018

Chemistry Department Laboratory Supervisor (committee chair) 2015

Tenure-Track Position in Organic Chemistry (committee chair) 2014

Academic Information Associate in Science 2014

Tenure-Track Position in Environmental Science 2006 to 2007

Term Position in Inorganic Chemistry 2007

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Tenure-Track Position in Biochemistry 2004 to 2006

Tenure-Track Position in Environmental History 2004 to 2005

Term Position in Environmental Science 2004

Tenure-Track Position in Computational Physics 2001 to 2002

Tenure-Track Position in Inorganic Chemistry 2000 to 2001

Science Division Electronics Technician 2000

F. Macalester College: Other Service Experiences

End-of-Course Survey Committee (chair; appointed) Current

Faculty Personnel Committee (elected) 2009 to 2011; 2012

Longitudinal Writing Scoring Panel 2014

Chair, Library, Media, Web Services Advisory Group (appointed) 2007 to 2009

Environmental Studies Coordinating Committee (appointed) 2001 to 2008

Chemistry Department Library Representative (appointed) 2004 to 2008

Mid-Career Faculty Seminar (selected) 2007 to 2008

Hughes Bio-Mathematics Course Planning Seminar (appointed) 2001

Principal Author, Beckman Scholars Program Application 2011

Senior Honors Thesis Reader for Kristen Templeton (’01), Leah Appelhans (’02), Gretchen Anderson (’05), Trevor David Rhone (’05), Lukas Valin (’05), Brianna Kujala (’06), Kara Manke (’07), Emily Guinn (’08), Jonas Hiltrop (’08), Matthew Hermes (’09), Amanda Hulke (’09), Benjamin Knurr (’09), Cheryl Zogg (’11), Samuel Levang (’12), Kerry Hartwick (’14), Lawrence Furan (’16), Ke Huang (’16), Bradley Pearlman (’16), Marla DeVault (’17), Austin Parsons (’17), Tristan Truttmann (’17)

Guest Lectures in General Chemistry II (1 April 2019), Writing in U.S. Academic Culture (18 April 2018), Quantum Chemistry and Spectroscopy (14 March 2001, 15 March 2002, 24 February 2010, 27 January 2017, 5 March 2018), Accelerated General Chemistry (30 September 2011), Thermodynamics and Kinetics (22 October 2010), General Chemistry I (14 and 16 September 2005), Environmental Analysis and Problem Solving (15 September 2004)

Ad hoc committees to evaluate Beltmann Fund proposals (2001, 2009) and Beckman Scholar applications (2005)

VIII. TEACHING EXPERIENCE

A. At Macalester College

1. General Chemistry I Fall 2000, 2001, 2004, 2005, 2010, 2015, 2017, 2018

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2. General Chemistry I First-Year Course Fall 2005, 2011, 2012

3. General Chemistry I Lab Fall 2002, 2004, 2005, 2008, 2011, 2012

4. General Chemistry II Spring 2001, 2002, 2006

5. General Chemistry II First-Year Course Fall 2004

6. General Chemistry II Lab Spring 2001, 2002, 2010, 2018

7. Accelerated General Chemistry Fall 2007, 2008, 2009

8. Accelerated General Chemistry Lab Fall 2008, 2009, 2010

9. Analytical Chemistry Spring 2001, 2002, 2003, 2005, 2006, 2007, 2008

Spring 2009, 2010, 2011, 2012, 2013, 2014, 2015, 2016, 2017, 2018, 2018

10. Analytical Chemistry Lab Spring 2001, 2002, 2003, 2005, 2006, 2007

Spring 2009, 2010, 2012, 2013, 2014, 2015, 2016, 2017, 2018, 2019

11. Thermodynamics and Kinetics Fall 2007, 2011

12. Thermodynamic and Kinetics Lab Fall 2001, 2002, 2004, 2005, 2010

Fall 2011, 2012, 2014, 2015, 2016, 2017

13. Quantum Chemistry and Spectroscopy Spring 2003, 2008

14. Quantum Chemistry and Spectroscopy Lab Spring 2003, 2008

15. Computational Chemistry Spring 2007, 2009, 2011, 2013, 2019; Fall 2014, 2016

16. Environmental Chemistry Fall 2009

17. Chemistry Seminar Fall 2015, 2016; Spring 2016, 2017

18. Instrumental Analysis Fall 2000, 2001, 2002

19. Instrumental Analysis Lab Fall 2000, 2001, 2002

20. Independent Projects, Internships

Fall 2000, 2003, 2005, 2007, 2008, 2009, 2013, 2015, 2016, 2017 January 2001, 2005, 2006, 2008, 2009, 2015 Spring 2001, 2005, 2006, 2007, 2008, 2009, 2014, 2015, 2016, 2017, 2018

At the University of California, Los Angeles

1. Chemical Structure Fall 1999

2. Chemical Energetics and Change Winter 2000