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Computers and Chemistry

Volumn 25, Issue 1, 2001, Pages 69-75

Distributions and averages of molecular conformations

(1) Mezey, Paul G a,b

a INSTITUTE FOR ADVANCED STUDY (Hungary)

b UNIVERSITY OF SASKATCHEWAN (Canada)

Author keywords

Distributions; Electron density variations; Molecular conformations

Indexed keywords

CARRIER CONCENTRATION; COMPUTATIONAL METHODS; CONFORMATIONS; STATISTICAL METHODS;

ELECTRON DENSITY AVERAGING;

QUANTUM THEORY;

EID: 0034744659 PISSN: 00978485 EISSN: None Source Type: Journal
DOI: 10.1016/S0097-8485(00)00089-9 Document Type: Article

Times cited : (4)

References (47)

1
- 0003853834
- McGraw-Hill, New York
- (1970) Contemporary Crystallography
- Buerger, M.J.¹

2
- 85021287950
- (1987) Int. J. Quantum Chem. , vol.32
- Carbó, R.¹ Domingo, L.²

3
- 85021295408
- (1980) Int. J. Quantum Chem. , vol.17
- Carbó, R.¹ Leyda, L.² Arnau, M.³

4
- 85021275869
- (1963) Rev. Mod. Phys. , vol.35
- Coleman, A.J.¹

5
- 0003989038
- Chapman and Hall-Blackie Publishers, Glasgow, UK
- (1995) Molecular Similarity in Drug Design
- Dean, P.M.¹

6
- 85021287981
- (1930) Z. Phys. , vol.61
- Fock, V.¹

7
- 0003528632
- Oxford University Press, New York
- (1972) Crystal Structure Analysis
- Glusker, J.P.¹ Trueblood, K.N.²

8
- 85021263682
- (1951) Proc. R. Soc. Lond. , vol.A205
- Hall, G.G.¹

9
- 85021284086
- (1928) Proc. Cambridge Philos. Soc. , vol.24 , Issue.111
- Hartree, D.R.¹

10
- 85021296647
- (1929) Proc. Cambridge Philos. Soc. , vol.25 , Issue.225
- Hartree, D.R.¹

11
- 85021259350
- (1986) J. Chem. Soc. Chem. Commun.
- Hodgkin, E.E.¹ Richards, W.G.²

12
- 10644250257
- (1964) Phys. Rev. , vol.136 , pp. B864
- Hohenberg, P.¹ Kohn, W.²

13
- 0003641826
- Wiley, New York
- (1990) Concepts and Applications of Molecular Similarity
- Johnson, M.A.¹ Maggiora, G.M.²

14
- 0042113153
- (1965) Phys. Rev. , vol.140 , pp. A1133
- Kohn, W.¹ Sham, L.J.²

15
- 85021288061
- (1988) J. Mol. Graph. , vol.6
- Leicester, S.¹ Bywater, R.² Finney, J.L.³

16
- 85021261728
- (1979) Proc. Natl. Acad. Sci. USA , vol.76
- Levy, M.¹

17
- 85021283993
- (1979) Bull. Am. Phys. Soc. , vol.24
- Levy, M.¹

18
- 85021292555
- (1982) Phys. Rev. A , vol.26
- Levy, M.¹

19
- 85021259100
- (1990) Adv. Quantum Chem. , vol.21
- Levy, M.¹

20
- 85021259125
- (1950) J. Chem. Phys. , vol.18
- Löwdin, P.-O.¹

21
- 85021262992
- (1955) Phys. Rev. , vol.97
- Löwdin, P.-O.¹

22
- 85021283264
- (1956) Adv. Phys. , vol.5
- Löwdin, P.-O.¹

23
- 85021256204
- (1970) Adv. Quantum Chem. , vol.5
- Löwdin, P.-O.¹

24
- 85021301866
- (1995) Int. J. Quantum Chem. Quant. Chem. Symp. , vol.29
- Massa, L.¹ Huang, L.² Karle, J.³

25
- 85021305693
- (1960) Rev. Mod. Phys. , vol.32
- McWeeny, R.¹

26
- 0003733673
- Elsevier, Amsterdam
- (1987) Potential Energy Hypersurfaces
- Mezey, P.G.¹

27
- 0004052392
- VCH Publishers, New York
- (1993) Shape in Chemistry: An Introduction to Molecular Shape and Topology
- Mezey, P.G.¹

28
- 85021272852
- (1995) Struct. Chem. , vol.6
- Mezey, P.G.¹

29
- 21844503595
- Macromolecular density matrices and electron densities with adjustable nuclear geometries
- (1995) J. Math. Chem. , vol.18
- Mezey, P.G.¹

30
- 0000673969
- Local shape analysis of macromolecular electron densities
- Leszczynski, J. (Ed.), World Scientific Publishers, Singapore
- (1996) Computational Chemistry: Reviews and Current Trends , vol.1 , pp. 109-137
- Mezey, P.G.¹

31
- 0002911076
- Molecular similarity measures of conformational changes and electron density deformations
- (1996) Adv. Mol. Similarity , vol.1 , pp. 89-120
- Mezey, P.G.¹

32
- 0002057915
- Quantum similarity measures and Löwdin's transform for approximate density matrices and macromolecular forces
- (1997) Int. J. Quantum Chem. , vol.63
- Mezey, P.G.¹

33
- 85021296581
- (1998) J. Math. Chem. , vol.23
- Mezey, P.G.¹

34
- 85021291845
- (1998) J. Comput. Chem. , vol.19
- Mezey, P.G.¹

35
- 85021254386
- (1999) Mol. Phys. , vol.96
- Mezey, P.G.¹

36
- 85021292745
- (1999) J. Chem. Inf. Comput. Sci. , vol.39
- Mezey, P.G.¹

37
- 85021280215
- (1955) J. Chem. Phys. , vol.23
- Mulliken, R.S.¹

38
- 85021264801
- (1962) J. Chem. Phys. , vol.36
- Mulliken, R.S.¹

39
- 85021295626
- (1975) Proc. Natl. Acad. Sci. USA , vol.72
- Parr, R.G.¹

40
- 0004219386
- McGraw-Hill, New York
- (1968) Elementary Quantum Chemistry
- Pilar, F.L.¹

41
- 85021264793
- (1992) J. Chem. Inf. Comput. Sci. , vol.32
- Ponec, R.¹ Strnad, M.²

42
- 85021264764
- (1951) Rev. Mod. Phys. , vol.23
- Roothaan, C.C.¹

43
- 85021274794
- (1960) Rev. Mod. Phys. , vol.32
- Roothaan, C.C.¹

44
- 0004276386
- New York: Benjamin
- (1969) Introduction to Crystallography
- Sands, D.E.¹

45
- 85021271255
- (1992) J. Chem. Inf. Comput. Sci. , vol.32
- Sello, G.¹

46
- 85021283547
- (1995) J. Comput. Chem. , vol.16
- Stefanov, B.B.¹ Cioslowski, J.²

47
- 0003400309
- Cambridge University Press, Cambridge
- (1970) An Introduction to X-Ray Crystallography
- Woolfson, M.M.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.