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Journal of Molecular Modeling

Volumn 15, Issue 6, 2009, Pages 731-738

Solvent impact on the aromaticity of benzene analogues: Implicit versus explicit solvent approach

(3) Cysewski, Piotr a Szefler, Beata a Kozłowska, Katarzyna a

a NICOLAUS COPERNICUS UNIVERSITY (Poland)

Author keywords

Aromaticity; Benzene analogues; HOMA; PCM; QM MM; Solvent effect

Indexed keywords

BENZENE DERIVATIVE;

AROMATIZATION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CONFERENCE PAPER; CONTROLLED STUDY; DIPOLE; GEOMETRY; INTERMETHOD COMPARISON; MOLECULAR MECHANICS; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTUM CHEMISTRY; SOLUTE; SOLVATION; SOLVENT EFFECT;

ALGORITHMS; BENZENE; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHASE TRANSITION; QUANTUM THEORY; SOLVENTS; STATIC ELECTRICITY; THERMODYNAMICS; WATER;

EID: 67349228759 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-008-0440-7 Document Type: Conference Paper

Times cited : (6)

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