×
Log in
Upload File
Most Popular
Study
Business
Design
Technology
Travel
Explore all categories
The top documents tagged [dft calculations]
Electronic Circular Dichroism of Transition Metal Complexes within TDDFT Jing Fan University of Calgary 1
222 views
ULTRAFAST DYNAMICS IN NITRO- AND (ORGANOPHOSPHINE)GOLD(I)-POLYCYCLIC AROMATIC HYDROCARBONS R. Aaron Vogt, Christian Reichardt, Carlos E. Crespo-Hernández,
219 views
Surface Diffraction Studies of Organic Thin Films Mehmet Fatih Danışman Middle East Technical University Department of Chemistry
227 views
Fixed-Point Optimization of Atoms & Density in DFT
23 views
Ordered supramolecular polythiophene structures on passivated silicon surfaces
37 views
[Dan_E._Dudgeon,_Russell_M._Mersereau]_Multidimens(Bookos.org).pdf
64 views
DFTB Symposium Looking at DFTB from a Semiempirical Perspective Walter Thiel Max-Planck-Institut für Kohlenforschung, Mülheim, Germany ACS National Meeting
228 views
Production of Biodegradable Polymers using Group IV Complexes of Salicyl-benzotrizole and benzoxazole Ligands Sreenath Pappuru Research Scholar Sreenath
216 views
Density Functional Theory of Iron Carbide and Steel Surface Erosion Chemistry
45 views
CONFORMATIONAL PROPERTIES, SPECTROSCOPY AND STRUCTURE OF ISATIN-(WATER)n COMPLEXES MILIND K SING, D M UPADHYA AND VIPIN B SINGH U P AUTONOMOUS COLLEGE
218 views
Structural and electronic properties of molybdenum chalcohalide nanowires Igor Popov, Teng Yang, Savas Berber, Gotthard Seifert, David Tománek Technical
224 views
Surface Diffraction Studies of Organic Thin Films
39 views
< Prev
Next >