Calculation of the microscopic and macroscopic linear and nonlinear optical properties of acetonitrile: I. Accurate molecular properties in the gas phase and susceptibilities of the liquid in Onsager's reaction-field model

Journal of Physical Chemistry A

Volumn 107, Issue 19, 2003, Pages 3907-3917

  Reil, H ^a   Papadopoulos, M G ^a   Avramopoulos, A ^a  

^a INSTITUTE OF BIOLOGY   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC CONTRIBUTION; HYPERPOLARIZABILITY; MACROSCOPIC PROPERTIES; MICROSCOPIC PROPERTIES; MOLLER-PLESSET SECOND ORDER PERTURBATION CORRECTION; NONLINEAR SUSCEPTIBILITIES; ONSAGER REACTION FIELD MODEL;

CALCULATIONS; CORRELATION METHODS; ELECTRIC PROPERTIES; ELECTRONIC PROPERTIES; GASES; MATHEMATICAL MODELS; MICROSCOPIC EXAMINATION; MOLECULAR PHYSICS; MOLECULAR VIBRATIONS; NONLINEAR OPTICS; REFRACTIVE INDEX; THERMAL EFFECTS;

ACETONITRILE;

EID: 0037714326     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0222346     Document Type: Article

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