Computational analysis of molecular properties and spectral characteristics of cyano-containing liquid crystals: Role of alkyl chains

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 83, Issue 5, 2011, Pages

  Praveen, P Lakshmi ^a   Ojha, Durga P ^a  

^a ANDHRA LOYOLA COLLEGE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYL CHAIN; ATOMIC CHARGE; CIRCULAR DICHROISM SPECTRA; COMPUTATIONAL ANALYSIS; CONFIGURATION INTERACTION SINGLES; CYANOBIPHENYLS; DIFFERENT MODES; DIMER COMPLEXES; ELECTRONIC TRANSITION; HIGHEST OCCUPIED MOLECULAR ORBITAL; INTERACTION ENERGIES; INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP METHODS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MODEL SYSTEM; MOLECULAR PROPERTIES; MULLIKEN ATOMIC CHARGES; SEMIEMPIRICAL HAMILTONIANS; SPECTRAL CHARACTERISTICS; STABLE CONFIGURATION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; UV-VISIBLE;

COMPLEXATION; DENSITY FUNCTIONAL THEORY; DICHROISM; EXCITED STATES; LIQUID CRYSTALS; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULES; PHASE STABILITY;

DIMERS;

EID: 79961053092     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.83.051710     Document Type: Article

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