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Journal of Molecular Structure: THEOCHEM

Volumn 545, Issue 1-3, 2001, Pages 119-129

Theoretical study of solvent modulation of the first hyperpolarizability of PNA, DNBT and DCH

(3) Nandi, P K a Chattopadhyay, T a Bhattacharyya, S P b

a INDIAN INSTITUTE OF ENGINEERING SCIENCE AND TECHNOLOGY (India)

b DEPARTMENT OF MATERIALS SCIENCE (India)

Author keywords

Finite field SCF and two state model; First hyperpolarizability of ICT molecules; Solvent dielectric modulation of first hyperpolarizabilities; SSCRF method; and 0

Indexed keywords

1,1 DICYANO 6 AMINOHEXATRIENE; 4 NITROANILINE; 5 DIMETHYLAMINO 5' NITRO 2,2' BITHIOPHENE; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; DIELECTRIC CONSTANT; ENERGY; HYPERPOLARIZATION; MEASUREMENT; MODEL; OPTICS; PREDICTION; SOLVATION; THEORY;

EID: 0035832737 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00393-1 Document Type: Article

Times cited : (10)

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