Effect of solvents having different dielectric constants on reactivity: A conceptual DFT approach

International Journal of Quantum Chemistry

Volumn 110, Issue 9, 2010, Pages 1642-1647

  Kar, Rahul ^a   Pal, Sourav ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

Author keywords

COSMO; DFT; Dielectric constant; Reactivity descriptors; Solvent effect

Indexed keywords

APROTIC; APROTIC SOLVENTS; CONCEPTUAL DENSITY FUNCTIONAL THEORY; CONCEPTUAL DFT APPROACH; DIELECTRIC CONSTANTS; FUKUI FUNCTIONS; GASPHASE; GLOBAL PARAMETERS; PROTIC SOLVENTS; REACTIVITY DESCRIPTORS; REACTIVITY INDICES; SOLVENT EFFECTS; SOLVENT PHASE;

DENSITY FUNCTIONAL THEORY; PERMITTIVITY;

SOLVENTS;

EID: 77953435041     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22333     Document Type: Article

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