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The top documents tagged [density function theory]
BIOS 203 Lecture 4: Ab initio molecular dynamics
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Investigation of the effect of hydrogen bonding in molecular crystals on absorption and Raman spectra O.P. Cherkasova, I.N. Smirnova, M.M. Nazarov, E.V
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Part I: Introduction to Computational Methods Used in Gaussian 09
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O . P . Cherkasova , I.N. Smirnova, M . M . Nazarov ,
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