An experimental charge density study of the effect of the noncentric crystal field on the molecular properties of organic NLO materials

ChemPhysChem

Volumn 1, Issue 3, 2000, Pages 127-135

  Gopalan, R Srinivasa ^a   Kulkarni, Giridhar U ^a   Rao, C N R ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

Charge density; Dipole moment; Materials science; Nonlinear optics; Semiempirical calculations

Indexed keywords

ATOMS; CHARGE DENSITY; CONFORMATIONS; DIPOLE MOMENT; GEOMETRY; MATERIALS SCIENCE; MOLECULES; NONLINEAR OPTICS; O RINGS; OPTICAL MATERIALS; TEMPERATURE;

CENTROSYMMETRIC STRUCTURES; ELECTROSTATIC POTENTIALS; EXPERIMENTAL CHARGE DENSITY; MOLECULAR PROPERTIES; NON-LINEAR OPTICAL MATERIAL; OPTIMIZED GEOMETRIES; SEMI-EMPIRICAL CALCULATION; X RAY MEASUREMENTS;

CRYSTAL STRUCTURE;

EID: 0000428285     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/1439-7641(20001103)1:3<127::aid-cphc127>3.3.co;2-t     Document Type: Article

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