Is there a simple way to reliable simulations of infrared spectra of organic compounds?

Journal of Physical Chemistry A

Volumn 117, Issue 30, 2013, Pages 6664-6670

  Katsyuba, Sergey A ^a   Zvereva, Elena E ^a   Burganov, Timur I ^a  

^a A E ARBUZOV INSTITUTE OF ORGANIC AND PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EXPLICIT MODELING; IMPLICIT TREATMENT; ISOLATED MOLECULES; QUANTUM CHEMICAL COMPUTATIONS; RELATIVE INTENSITY; SCALED QUANTUM MECHANICS; SIMULATED SPECTRA; SPECTRAL SIMULATIONS;

QUANTUM THEORY;

QUANTUM CHEMISTRY;

EID: 84881179999     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp404574m     Document Type: Article

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