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Volumn 125, Issue 5, 2003, Pages 1284-1292

Atomic properties of selected biomolecules: Quantum topological atom types of carbon occurring in natural amino acids and derived molecules

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Indexed keywords

HEXADECAPOLE MOMENTS;

EID: 0037419798     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0284198     Document Type: Article
Times cited : (52)

References (50)
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    • (2000) Chemical Modelling: Applications and Theory , vol.1 , pp. 143-198
    • Popelier, P.L.A.1    Aicken, F.M.2    O'Brien, S.E.3
  • 17
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    • Royal Society of Chemistry Specialist Periodical Report; Hinchliffe, A., Ed.; Royal Society of Chemistry: Letchworth, U.K.; Chapter 8
    • Popelier, P. L. A.; Smith, P. J. In Chemical Modelling: Applications and Theory, Vol. 2; Royal Society of Chemistry Specialist Periodical Report; Hinchliffe, A., Ed.; Royal Society of Chemistry: Letchworth, U.K., 2002; Chapter 8, pp 391-448.
    • (2002) Chemical Modelling: Applications and Theory , vol.2 , pp. 391-448
    • Popelier, P.L.A.1    Smith, P.J.2
  • 20
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    • 0347782955 scopus 로고    scopus 로고
    • Ph.D. Thesis, Department of Chemistry, UMIST, Manchester, Great Britain
    • Aicken, F. M., Ph.D. Thesis, Department of Chemistry, UMIST, Manchester, Great Britain, 2000.
    • (2000)
    • Aicken, F.M.1
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    • a program written by P. L. A. Popelier with a contribution from R. G. A. Bone, Manchester, England, EU
    • MORPHY98, a program written by P. L. A. Popelier with a contribution from R. G. A. Bone, UMIST, Manchester, England, EU 1998 (http://morphy.ch.umist.ac.uk/ 1998).
    • (1998) MORPHY98
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    • Chicago, IL
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    • McGraw-Hill: New York
    • This coefficient is defined as where x̄ and ȳ are atomic properties and x̄ and ȳ their respective means. The sum runs over the number of clusters (i.e. atom types). The values of r lie within [0, 1] (Spiegel, M. R. Theory and Problems of Statistics; McGraw-Hill: New York, 1972).
    • (1972) Theory and Problems of Statistics
    • Spiegel, M.R.1
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    • note
    • Conventional organic chemistry shows that a molecule must also be cyclic and planar to be aromatic. While cyclobutadiene is planar, cyclooctatetraene exists as a tub. A topological analysis of this molecule reveals the presence of two rings, made up of the same constituent atoms, bounding a cage critical point. The existence of a cage critical point bounded by only two rings has been discussed as a mathematical possibility by Bader. However until now the minimum number of rings observed has been three, e.g. bicyclo[1.1.1]pentane.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.