The first hyperpolarizability of p-nitroaniline in 1,4-dioxane: A quantum mechanical/molecular mechanics study

Journal of Chemical Physics

Volumn 123, Issue 7, 2005, Pages

  Jensen, Lasse ^a   Van Duijnen, Piet Th ^b  

^a NORTHWESTERN UNIVERSITY   (United States)

^b UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DISCRETE SOLVENT REACTION FIELD; GAS PHASE; HYPERPOLARIZABILITY; SOLVATION SHIFT;

COMPUTATION THEORY; FUNCTIONAL ASSESSMENT; MOLECULAR DYNAMICS; POLARIZATION; PROBABILITY DENSITY FUNCTION;

QUANTUM THEORY;

EID: 34547236888     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1999633     Document Type: Article

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