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Računanje absorpcijskega traku asimetričnega vzdolžnega valenčnega nihanja O-H v N-oksidu 4-metoksipikolinske kisline : diplomsko deloBalažic, KatjaType of material - undergraduate thesisPublication and manufacture - Ljubljana : [K. Balažic], 2006Language - slovenianCOBISS.SI-ID - 28323077
Author
Balažic, Katja
Other authors
Koller, Jože
Topics
fizikalna kemija |
računalniška kvantna kemija |
kvantna mehanika |
vodikovi vezani sistemi |
vodikova vez |
modeliranje kratkih vodikovih vezi |
vibracijska spektroskopija |
vibracijska Schrödingerjeva enačba |
teorija gostotnih funkcionalov |
DFT |
ortogonalizacija baznega seta |
Gaussove funkcije |
Gramm-Schmidtov postopek ortogonalizacije |
N-oksid 4-metoksipikolinske kisline |
MPANO |
diplomska dela |
diplomska dela |
hydrogen bond |
vibrational spectroscopy |
vibrarational Schröinger equation |
basis set orthogonalization
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Database name | Field | Year |
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Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
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Balažic, Katja | ![]() |
Koller, Jože | 02567 |
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