Vibrational solvatochromism. II. A first-principle theory of solvation-induced vibrational frequency shift based on effective fragment potential method

Journal of Chemical Physics

Volumn 140, Issue 16, 2014, Pages

  Błasiak, Bartosz ^a   Cho, Minhaeng ^a  

^a Korea University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; ELECTRIC FIELDS; FREQUENCY SHIFT KEYING; MOLECULAR PHYSICS; POLARIZATION; SOLVATION;

CHARGE TRANSFER INTERACTION; EFFECTIVE FRAGMENT POTENTIAL METHODS; FIELD INTERACTIONS; FIRST-PRINCIPLE THEORY; HARTREE-FOCK LEVELS; MULTIPOLE MOMENTS; QUANTITATIVE AGREEMENT; VIBRATIONAL FREQUENCY SHIFT;

QUANTUM CHEMISTRY;

EID: 84899890891     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4872040     Document Type: Article

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