An analysis of stable forms of CL-20: A DFT study of conformational transitions, infrared and Raman spectra

Journal of Molecular Structure

Volumn 843, Issue 1-3, 2007, Pages 14-25

  Kholod, Yana ^a,b   Okovytyy, Sergiy ^a,b   Kuramshina, Gulnara ^c   Qasim, Mohammad ^d   Gorb, Leonid ^a,d   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

^c MOSCOW STATE UNIVERSITY   (Russian Federation)

^d US ARMY ENGINEER RESEARCH AND DEVELOPMENT CENTER   (United States)

Author keywords

CL 20 conformations; Density Functional Theory; Infrared and Raman spectra

Indexed keywords

DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; POLYMORPHISM; RAMAN SCATTERING; VIBRATIONAL SPECTRA;

CL-20 CONFORMATIONS; CONFORMATIONAL TRANSFORMATIONS; VIBRATIONAL MODES;

PHASE TRANSITIONS;

EID: 34548506741     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.12.031     Document Type: Article

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