Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene

Journal of Physical Chemistry A

Volumn 114, Issue 47, 2010, Pages 12513-12521

  Oppenheim, Keith C ^a   Korter, Timothy M ^a   Melinger, Joseph S ^b   Grischkowsky, Daniel ^c  

^a SYRACUSE UNIVERSITY   (United States)

^b NAVAL RESEARCH LABORATORY   (United States)

^c Oklahoma State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL PACKINGS; CRYSTALLINE POLYMORPHS; HIGH RESOLUTION; HYBRID DENSITY; LOW FREQUENCY REGIONS; MOLECULAR SOLID; SOLID-STATE DENSITY; SOLID-STATE MODELS; SPECTRAL FEATURE; STRUCTURAL ISOMERS; TERAHERTZ; TERAHERTZ SPECTRA; TIME DOMAIN; VIBRATIONAL FEATURES;

ISOMERS; LATTICE VIBRATIONS; TIME DOMAIN ANALYSIS; VIBRATION ANALYSIS;

DENSITY FUNCTIONAL THEORY;

EID: 78649553489     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp107597q     Document Type: Article

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