Vibrational spectra, assignment, conformational stability and Ab initio/DFT calculations for 1-nitropropane

Structural Chemistry

Volumn 14, Issue 6, 2003, Pages 559-573

  Shilina, M I ^a   Senyavin, V M ^a   Kuramshina, G M ^a   Smirnov, V V ^a   Pentin, Yu A ^a  

^a NONE

Author keywords

1 nitropropane; Conformer; DFT; Force field; MP2; Vibrational spectra

Indexed keywords

1 NITROPROPANE; CARBON; HYDROGEN; OXYGEN;

ARTICLE; CALCULATION; CONFORMATION; ENERGY; ENTHALPY; EXPERIMENT; FREQUENCY ANALYSIS; GEOMETRY; INFRARED RADIATION; LIQUID; QUANTUM THEORY; RAMAN SPECTROMETRY; SOLID; SPECTRUM; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; VIBRATION;

EID: 3442897738     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:STUC.0000007567.84405.ec     Document Type: Article

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