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Volumn 30, Issue 3, 2001, Pages 315-324

Mathematical problems of nuclear configuration averaging

Author keywords

Active conformation; Conformation averaging; Conformational deformations; Electron density averaging; Shape complementarity; Shape similarity; Small amplitude vibrations; Union surfaces

Indexed keywords


EID: 0035737605     PISSN: 02599791     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1015127811798     Document Type: Article
Times cited : (2)

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    • G.A. Arteca and P.G. Mezey, Similarities between the effects of configurational changes and applied electric fields on the shape of electron densities, J. Mol. Struct. Theochem 256 (1992) 125-134 (special volume on "Electrostatics in Molecules", eds. G. Náray-Szabó and W.J. Orwille Thomas).
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    • special issue dedicated to Prof. S. Huzinaga
    • P.G. Mezey, On the allowed symmetries of all distorted forms of conformers, molecules, and transition structures, Canad. J. Chem. 70 (1992) 343-347 (special issue dedicated to Prof. S. Huzinaga).
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    • P.G. Mezey, Discrete representations of three-dimensional molecular bodies and their shape changes in chemical reactions, in: Graph Theoretical Approaches to Chemical Reactivity, eds. D. Bonchev and O. Mekenyan (Kluwer Academic, Dordrecht, The Netherlands, 1994) pp. 181-208.
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    • P.G. Mezey, From reaction path to reaction mechanism: fundamental groups and symmetry rules, in: Reaction Path in Chemistry, ed. D. Heidrich (Kluwer Academic, Dordrecht, 1995) pp. 11-38.
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    • Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2-phenyl pyrimidine
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    • P.G. Mezey, The topology of catchment regions of potential energy hypersurfaces, Theor. Chem. Acc. 102 (1999) 279-284.
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    • P.G. Mezey, Distributions and averages of molecular conformations, Comput. Chem. 25 (2001) 69-75.
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    • eds. R.B. King and D.H. Rouvray (Ellis Horwood, UK) in press
    • P.G. Mezey, Molecular informatics and topology in chemistry, in: Topology in Chemistry, eds. R.B. King and D.H. Rouvray (Ellis Horwood, UK) in press.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.