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International Journal of Quantum Chemistry

Volumn 88, Issue 5, 2002, Pages 588-605

Hybrid molecular mechanics: For effective crystal field method for modeling potential energy surfaces of transition metal complexes

(4) Darhovskii, M B a Razumov, M G b Pletnev, I V c,d Tchougreff, A L a

a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY (Russian Federation)

b KELDYSH INSTITUTE OF APPLIED MATHEMATICS (Russian Federation)

c KURNAKOV INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY (Russian Federation)

d MOSCOW STATE UNIVERSITY (Russian Federation)

Author keywords

Effective crystal field; Potential energy surfaces; Quantum mechanics molecular mechanics; Transition metal complexes

Indexed keywords

ATOMIC PHYSICS; CALCULATIONS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; INTERFACIAL ENERGY; IONS; MATHEMATICAL MODELS; MOLECULAR CRYSTALS; POTENTIAL ENERGY; QUANTUM THEORY; TRANSITION METAL COMPOUNDS;

EFFECTIVE CRYSTAL FIELD METHOD; HYBRID MOLECULAR MECHANICS; LIGAND ATOMS; MONODENTATE LIGANDS; POLYDENTATE LIGANDS; POTENTIAL ENERGY SURFACES; QUANTUM MECHANICS;

MOLECULAR DYNAMICS;

EID: 0037141982 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.10211 Document Type: Article

Times cited : (12)

References (47)

1
- 0004151408
- ACS: Washington, DC
- (1982) Molecular Mechanics
- Burkert, U.¹ Allinger, T.²

2
- 33751149724
- (1984) Coord Chem Rev , vol.53 , pp. 1
- Brubaker, G.R.¹ Johnson, D.W.²

3
- 84954696353
- (1991) J Am Chem Soc , vol.113 , pp. 1
- Allured, V.S.¹ Kelly, C.M.² Landis, C.R.³

4
- 4243992753
- (1993) J Inorg Chem , vol.32 , pp. 3438
- Rappe, A.K.¹ Colwell, K.S.² Casewit, C.³

5
- 0005897139
- (1989) Croat Chem Acta , vol.62 , Issue.3 , pp. 495
- Sabolovic, J.¹ Raos, N.² Rasmussen, K.³

6
- 84970603468
- (1981) Aust J Chem , vol.34 , pp. 45
- Hambley, T.W.¹ Hawkins, C.J.² Palmer, J.A.³ Snow, M.R.⁴

7
- 0000216420
- (1996) J Inorg Chem , vol.35 , Issue.24 , pp. 7013-7020
- Reichert, D.E.¹ Hancock, R.D.² Welch, M.³

8
- 0000066552
- (1996) J Phys Chem , vol.100 , Issue.46 , pp. 18057-18064
- Cundari, T.R.¹ Fu, W.² Moody, E.W.³ Slavin, L.L.⁴ Snyder, L.A.⁵ Sommerer, S.O.⁶

9
- 0005897140
- (1986) Inorg Chim Acta , vol.119 , pp. 131
- Johnson, D.W.¹ Brubaker, G.R.²

10
- 0005805672
- (in Russian)
- (1997) Koord Khim , vol.23 , pp. 205
- Pletnev, I.V.¹ Melnikov, V.L.²

11
- 0005808501
- (2001) J Comput Chem , vol.22 , Issue.1 , pp. 38
- Razumov, M.G.¹ Melnikov, V.L.² Pletnev, I.V.³

12
- 0003603208
- Allyn and Bacon, London
- (1991) The VSEPR Model of Molecular Geometry
- Gillespie, R.J.¹ Hargittai, I.²

13
- 0004149851
- Springer: Berlin
- (1982) Inorganic Stereochemistry
- Kepert, D.L.¹

14
- 0040823793
- (1999) Chem Phys Rep , vol.18 , pp. 73
- Darhovskii, M.B.¹ Tchougréeff, A.L.²

15
- 0347422003
- (1985) Chem Rev , vol.85 , pp. 219
- König, E.¹ Ritter, G.² Kulshreshtha, S.K.³

16
- 0002825114
- (1981) Struct Bond , vol.44 , pp. 83
- Gütlich, P.¹

17
- 0002155612
- (1997) Chem Phys Rep , vol.16 , pp. 62
- Tchougréeff, A.L.¹

18
- 0002850173
- Molecular modeling and dynamics of bioinorganic systems
- In Banci, L.; Comba, P., eds.; Kluwer: Berlin
- (1997) NATO ASI Workshop , pp. 217
- Tchougréeff, A.L.¹

19
- 0001337166
- (1995) J Am Chem Soc , vol.117 , pp. 8407
- Burton, V.¹ Deeth, R.² Kemp, C.³ Gilbert, P.⁴

20
- 0005841443
- (1997) J Chem Soc Dalton Trans , pp. 537
- Deeth, R.¹ Paget, V.²

21
- 0000220383
- (1983) Struct Bond , vol.46 , pp. 371
- Gerloch, M.¹ Wooley, R.G.²

22
- 0005887044
- (2000) Russ J Phys Chem , vol.74 , pp. 212
- Darhovskii, M.B.¹ Tchougréeff, A.L.²

23
- 0001033179
- (1992) Theor Chim Acta , vol.83 , pp. 389
- Soudackov, A.V.¹ Tchougréeff, A.L.² Misurkin, I.A.³

24
- 0033559717
- (1999) Phys Chem Chem Phys , vol.1 , pp. 1051
- Tchougréeff, A.L.¹

25
- 0003482420
- Elsevier Science: Amsterdam
- (1984) Inorganic Electronic Spectroscopy
- Lever, A.B.P.¹

26
- 0000291171
- (1996) Int J Quantum Chem , vol.57 , pp. 663
- Soudackov, A.V.¹ Tchougréeff, A.L.² Misurkin, I.A.³

27
- 0001806775
- (1996) Int J Quantum Chem , vol.58 , pp. 161
- Soudackov, A.V.¹ Tchougréeff, A.L.² Misurkin, I.A.³

28
- 0000692375
- (1994) Russ J Phys Chem , vol.68 , pp. 1256
- Soudackov, A.V.¹ Tchougréeff, A.L.² Misurkin, I.A.³

29
- 0347404882
- (1994) Russ J Phys Chem , vol.68 , pp. 1264
- Soudackov, A.V.¹ Tchougréeff, A.L.² Misurkin, I.A.³

30
- 0001924886
- (1968) Struct Bond , vol.5 , pp. 68
- Shaeffer, C.E.¹

31
- 0003974685
- Dobrosvet: Moscow; (in Russian)
- (1998) Methods of Quantum Field Theory in Statistical Physics, 2nd Ed.
- Abrikosov, A.A.¹ Gor'kov, L.P.² Dzyaloshinskii, I.E.³

32
- 0004085996
- Academic Press: New York
- (1972) The Quantum Mechanics of Many-Body System
- Thouless, D.J.¹

33
- 0001634992
- (1982) J Chem Soc Faraday Trans II , vol.78 , pp. 285
- Perkins, P.G.¹ Stewart, J.J.P.²

34
- 84988073214
- (1989) J Comput Chem , vol.10 , pp. 221
- Stewart, J.J.P.¹

35
- 21844494355
- (1995) Chem Phys , vol.193 , pp. 19
- Tchougréeff, A.L.¹ Soudackov, A.V.² Misurkin, I.A.³ Bolvin, H.⁴ Kahn, O.⁵

36
- 84986512474
- (1983) J Comput Chem , vol.4 , pp. 187
- Brooks, B.R.¹ Bruccoleri, R.E.² Olafson, B.D.³ Dates, D.J.⁴ Swaminathan, S.⁵ Karplus, M.⁶

37
- 4644328821
- (1992) J Am Chem Soc , vol.114 , pp. 801
- Smith, J.C.¹ Karplus, M.²

38
- 5844386285
- (1971) Chem Phys Lett , vol.11 , pp. 287
- Di Sipio, L.¹ Tondello, E.² De Michelis, G.³ Oleari, L.⁴

39
- 0001336446
- (1981) Theor Chim Acta , vol.59 , pp. 127
- Böhm, M.C.¹ Gleiter, R.²

40
- 0003455716
- McGraw-Hill: New York
- (1970) Approximate Molecular Orbital Theory
- Pople, J.A.¹ Beveridge, D.L.²

41
- 0005895520
- Entry ECFMM

42
- 0000238336
- (1965) Comp J , vol.7 , pp. 308
- Nelder, J.A.¹ Mead, R.²

43
- 0003465464
- Prentice Hall: Englewood Cliffs, NJ
- (1973) Algorithms for Minimization Without Derivatives
- Brent, R.P.¹

44
- 0001530708
- (1966) J Am Chem Soc , vol.88 , pp. 4847
- Doedens, R.J.¹ Dahl, L.F.²

45
- 0002809536
- (1990) Inorg Chim Acta , vol.173 , pp. 19
- Onggo, D.¹ Hook, J.M.² Rae, A.D.³ Goodwin, H.A.⁴

46
- 0037599858
- (1998) Kristallogr New Crystal Struct , vol.213 , pp. 356
- Dick, S.Z.¹

47
- 0039382945
- (1995) Inorg Chem , vol.34 , pp. 5156
- Laine, P.¹ Gourdon, A.² Launay, J.-P.³

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