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Journal of Molecular Modeling

Volumn 17, Issue 9, 2011, Pages 2249-2257

Quantification of thermal ring flexibilities of aromatic and heteroaromatic compounds

(1) Cysewski, Piotr a,b

a NICOLAUS COPERNICUS UNIVERSITY (Poland)

b UNIVERSITY OF TECHNOLOGY AND LIFE SCIENCES (Poland)

Author keywords

Aromaticity; Benzene; Heteroaromaticity; HOMA; Normal coordinate analysis; Nucleic acid bases; Thermal vibrations

Indexed keywords

AROMATIC COMPOUND; BENZENE DERIVATIVE; CYCLOPHANE DERIVATIVE; HETEROCYCLIC COMPOUND;

CHEMICAL BOND; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; ELECTRON; MOLECULAR MODEL; OSCILLATION; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTUM CHEMISTRY; RING DEFORMATION; ROOM TEMPERATURE; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; THERMAL ANALYSIS; THERMAL VIBRATION; VIBRATION;

BENZENE DERIVATIVES; COMPUTER SIMULATION; CYCLOPENTANES; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PURINES; PYRIMIDINES; QUANTUM THEORY;

EID: 80255135516 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-010-0901-7 Document Type: Conference Paper

Times cited : (5)

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