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Coordination Chemistry Reviews

Volumn 238-239, Issue , 2003, Pages 83-126

Double perturbation theory: A powerful tool in computational coordination chemistry

(2) Autschbach, Jochen a,b Ziegler, Tom a

a UNIVERSITY OF CALGARY (Canada)

b UNIVERSITY OF ERLANGEN NUREMBERG (Germany)

Author keywords

Computational coordination chemistry; Double perturbation theory; Molecular properties; Second order energy derivatives

Indexed keywords

METAL; METAL DERIVATIVE;

CHEMICAL ANALYSIS; DOUBLE PERTURBATION THEORY; ELECTRIC FIELD; ELECTROMAGNETIC FIELD; ELECTRON SPIN RESONANCE; ENERGY; INTERMETHOD COMPARISON; MAGNETIC FIELD; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; METHODOLOGY; MOLECULAR PHYSICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MEDICINE; OPTICS; PHASE TRANSITION; QUANTUM CHEMISTRY; QUANTUM MECHANICS; QUANTUM THEORY; REVIEW; VIBRATION;

EID: 0038331971 PISSN: 00108545 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-8545(02)00287-4 Document Type: Review

Times cited : (116)

References (426)

1
- 0036026535
- T. Ziegler, J. Chem. Soc. Dalton Trans. (2002) 642.
- (2002) J. Chem. Soc. Dalton Trans. , pp. 642
- Ziegler, T.¹

2
- 0003569570
- Oxford University Press, New York
- R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

3
- 34250917852
- H. Hellmann, Z. Phys. 85 (1933) 180.
- (1933) Z. Phys. , vol.85 , pp. 180
- Hellmann, H.¹

4
- 0001393783
- A. Willetts, J.E. Rice, D.M. Burland, D.P. Shelton, J. Chem. Phys. 97 (1992) 7590.
- (1992) J. Chem. Phys. , vol.97 , pp. 7590
- Willetts, A.¹ Rice, J.E.² Burland, D.M.³ Shelton, D.P.⁴

5
- 0004112731
- Academic Press, New York
- S.T. Epstein, The Variation Method in Quantum Chemistry, Academic Press, New York, 1974.
- (1974) The Variation Method in Quantum Chemistry
- Epstein, S.T.¹

6
- 0003895523
- Academic Press, London
- R. McWeeny, Methods of Molecular Quantum Mechanics, 2nd ed., Academic Press, London, 1992.
- (1992) Methods of Molecular Quantum Mechanics, 2nd Ed.
- McWeeny, R.¹

7
- 0003576519
- Addison-Wesley, Reading, MA
- F.W. Byron, R.W. Fuller, The Mathematics of Classical and Quantum Physics, Addison-Wesley, Reading, MA, 1969.
- (1969) The Mathematics of Classical and Quantum Physics
- Byron, F.W.¹ Fuller, R.W.²

8
- 84931507903
- P. Pulay, Mol. Phys. 17 (1969) 197.
- (1969) Mol. Phys. , vol.17 , pp. 197
- Pulay, P.¹

9
- 0000355296
- Analytical derivative techniques and the calculation of vibrational spectra
- D.R. Yarkony (Ed.), World Scientific, Singapore
- P. Pulay, Analytical derivative techniques and the calculation of vibrational spectra, in: D.R. Yarkony (Ed.), Modern Electronic Structure Theory Part II, vol. 2, World Scientific, Singapore, 1995, pp. 1191-1240.
- (1995) Modern Electronic Structure Theory Part II , vol.2 , pp. 1191-1240
- Pulay, P.¹

10
- 36849113883
- J. Gerratt, I.M. Mills, J. Chem. Phys. 49 (1968) 1719.
- (1968) J. Chem. Phys. , vol.49 , pp. 1719
- Gerratt, J.¹ Mills, I.M.²

11
- 0000380454
- J. Gerratt, I.M. Mills, J. Chem. Phys. 49 (1968) 1730.
- (1968) J. Chem. Phys. , vol.49 , pp. 1730
- Gerratt, J.¹ Mills, I.M.²

12
- 0000719180
- F. London, J. Phys. Radium 8 (1937) 397.
- (1937) J. Phys. Radium , vol.8 , pp. 397
- London, F.¹

13
- 40749094858
- R. Ditchfield, Mol. Phys. 27 (1974) 789.
- (1974) Mol. Phys. , vol.27 , pp. 789
- Ditchfield, R.¹

14
- 0000389614
- W. Kutzelnigg, Isr. J. Chem. 19 (1980) 193.
- (1980) Isr. J. Chem. , vol.19 , pp. 193
- Kutzelnigg, W.¹

15
- 0037734768
- E.K.U. Gross, J.F. Dobson, M. Petersilka, Top. Curr. Chem. 81 (1996) 181.
- (1996) Top. Curr. Chem. , vol.81 , pp. 181
- Gross, E.K.U.¹ Dobson, J.F.² Petersilka, M.³

16
- 1542595937
- E.K.U. Gross, W. Kohn, Adv. Quant. Chem. 21 (1990) 255.
- (1990) Adv. Quant. Chem. , vol.21 , pp. 255
- Gross, E.K.U.¹ Kohn, W.²

17
- 0001157659
- Time-dependent density functional response theory for molecules
- D.P. Chong (Ed.), World Scientific, Singapore
- M.E. Casida, Time-dependent density functional response theory for molecules, in: D.P. Chong (Ed.), Recent Advances in Density Functional Methods, vol. 1, World Scientific, Singapore, 1995.
- (1995) Recent Advances in Density Functional Methods , vol.1
- Casida, M.E.¹

18
- 10844284893
- S.J.A. van Gisbergen, J.G. Snijders, E.J. Baerends, J. Chem. Phys. 103 (1995) 9347.
- (1995) J. Chem. Phys. , vol.103 , pp. 9347
- Van Gisbergen, S.J.A.¹ Snijders, J.G.² Baerends, E.J.³

19
- 0011143186
- C. Jamorski, M.E. Casida, D.R. Salahub, J. Chem. Phys. 104 (1996) 5134.
- (1996) J. Chem. Phys. , vol.104 , pp. 5134
- Jamorski, C.¹ Casida, M.E.² Salahub, D.R.³

20
- 0030570285
- R. Bauernschmitt, R. Ahlrichs, Chem. Phys. Lett. 256 (1996) 454.
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454
- Bauernschmitt, R.¹ Ahlrichs, R.²

21
- 0003454331
- Time-dependent density functional theory
- J.F. Dobson, G. Vignale, M.P. Das (Eds.), Plenum Press, New York
- J.F. Dobson, Time-dependent density functional theory, in: J.F. Dobson, G. Vignale, M.P. Das (Eds.), Electronic Density Functional Theory. Recent Progress and New Directions, Plenum Press, New York, 1998, pp. 43-53.
- (1998) Electronic Density Functional Theory. Recent Progress and New Directions , pp. 43-53
- Dobson, J.F.¹

22
- 0035826453
- F. Furche, J. Chem. Phys. 114 (2001) 5982.
- (2001) J. Chem. Phys. , vol.114 , pp. 5982
- Furche, F.¹

23
- 0035838240
- R. Van Leeuwen, Int. J. Mod. Phys. B 15 (2001) 1969.
- (2001) Int. J. Mod. Phys. B , vol.15 , pp. 1969
- Van Leeuwen, R.¹

24
- 36149024056
- A.D. McLachlan, M.A. Ball, Rev. Mod. Phys. 36 (1964) 844.
- (1964) Rev. Mod. Phys. , vol.36 , pp. 844
- McLachlan, A.D.¹ Ball, M.A.²

25
- 35949041052
- P.W. Langhoff, S.T. Epstein, M. Karplus, Rev. Mod. Phys, 44 (1972) 602.
- (1972) Rev. Mod. Phys , vol.44 , pp. 602
- Langhoff, P.W.¹ Epstein, S.T.² Karplus, M.³

26
- 0006865317
- A. Szabo, N.S. Ostlund, J. Chem. Phys. 67 (1977) 4351.
- (1977) J. Chem. Phys. , vol.67 , pp. 4351
- Szabo, A.¹ Ostlund, N.S.²

27
- 85050300294
- Propagator method
- K.P. Lawley (Ed.), Wiley, New York
- J. Oddershede, Propagator methods, in: K.P. Lawley (Ed.), Ab initio Methods in Quantum Chemistry, vol. II, Wiley, New York, 1987, pp. 201-239.
- (1987) Ab initio Methods in Quantum Chemistry , vol.2 , pp. 201-239
- Oddershede, J.¹

28
- 0009891378
- A. Dalgarno, G.A. Victor, Proc. R. Soc. Lond. A 291 (1966) 291.
- (1966) Proc. R. Soc. Lond. A , vol.291 , pp. 291
- Dalgarno, A.¹ Victor, G.A.²

29
- 0038748868
- Presses Universitaires Namur, Namur
- J.-M. André, et al., Exploring Aspects of Computational Chemistry, vol. 1, Presses Universitaires Namur, Namur, 1997.
- (1997) Exploring Aspects of Computational Chemistry , vol.1
- André, J.-M.¹

30
- 0037734767
- D.P. Santry, J. Chem. Phys. 70 (1979) 1008.
- (1979) J. Chem. Phys. , vol.70 , pp. 1008
- Santry, D.P.¹

31
- 4243247295
- D.P. Santry, Chem. Phys. Lett. 61 (1979) 417.
- (1979) Chem. Phys. Lett. , vol.61 , pp. 417
- Santry, D.P.¹

32
- 25344459257
- D.P. Santry, T.E. Raidy, Chem. Phys. Lett. 61 (1979) 413.
- (1979) Chem. Phys. Lett. , vol.61 , pp. 413
- Santry, D.P.¹ Raidy, T.E.²

33
- 0004430398
- P.E.S. Wormer, F. Visser, J. Paldus, J. Comput. Phys. 48 (1982) 23.
- (1982) J. Comput. Phys. , vol.48 , pp. 23
- Wormer, P.E.S.¹ Visser, F.² Paldus, J.³

34
- 11744305193
- K. Wolinski, J.F. Hinton, P. Pulay, J. Am. Chem. Soc. 112 (1990) 8251.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 8251
- Wolinski, K.¹ Hinton, J.F.² Pulay, P.³

35
- 84986435856
- J.H. van Lenthe, P. Pulay, J. Comput. Chem. 11 (1990) 1164.
- (1990) J. Comput. Chem. , vol.11 , pp. 1164
- Van Lenthe, J.H.¹ Pulay, P.²

36
- 0000135303
- M.R. Hestenes, E. Stiefel, J. Res. Natl. Bur. Stand. 49 (1952) 498.
- (1952) J. Res. Natl. Bur. Stand. , vol.49 , pp. 498
- Hestenes, M.R.¹ Stiefel, E.²

37
- 0001329184
- J.A. Pople, K. Raghavachari, H.B. Schlegel, J.S. Binkley, Int. J. Quantum Chem. S 13 (1979) 225.
- (1979) Int. J. Quantum Chem. S , vol.13 , pp. 225
- Pople, J.A.¹ Raghavachari, K.² Schlegel, H.B.³ Binkley, J.S.⁴

38
- 5344230920
- E.R. Davidson, J. Comput. Phys. 17 (1975) 87.
- (1975) J. Comput. Phys. , vol.17 , pp. 87
- Davidson, E.R.¹

39
- 0001496095
- B. Roos, Chem. Phys. Lett. 15 (1972) 153.
- (1972) Chem. Phys. Lett. , vol.15 , pp. 153
- Roos, B.¹

40
- 0038410759
- R.J. Bartlett, E.J. Brändas, J. Chem. Phys. 56 (1972) 5467.
- (1972) J. Chem. Phys. , vol.56 , pp. 5467
- Bartlett, R.J.¹ Brändas, E.J.²

41
- 84986524957
- P. Pulay, Chem. Phys. Lett. 73 (1980) 393.
- (1980) Chem. Phys. Lett. , vol.73 , pp. 393
- Pulay, P.¹

42
- 44349162071
- P. Pulay, J. Comput. Chem. 3 (1982) 556.
- (1982) J. Comput. Chem. , vol.3 , pp. 556
- Pulay, P.¹

43
- 0003574406
- Academic Press, New York
- P. Jørgensen, J. Simons, Second Quantization-Based Methods in Quantum Chemistry, Academic Press, New York, 1981.
- (1981) Second Quantization-Based Methods in Quantum Chemistry
- Jørgensen, P.¹ Simons, J.²

44
- 0000703066
- J.B. Foresman, M. Head-Gordon, J.A. Pople, M.J. Frisch, J. Phys. Chem. 96 (1992) 135.
- (1992) J. Phys. Chem. , vol.96 , pp. 135
- Foresman, J.B.¹ Head-Gordon, M.² Pople, J.A.³ Frisch, M.J.⁴

45
- 0034319444
- M.E. Casida, et al., J. Chem. Phys. 113 (2000) 7062.
- (2000) J. Chem. Phys. , vol.113 , pp. 7062
- Casida, M.E.¹

46
- 0002883662
- Theoretical approach to the design of organic molecular and polymeric nonlinear optical materials
- H.S. Nalwa (Ed.), Academic Press, New York
- B. Champagne, B. Kirtman, Theoretical approach to the design of organic molecular and polymeric nonlinear optical materials, in: H.S. Nalwa (Ed.), Handbook of Advanced Electronic and Photonic Materials and Devices, vol. 9, Academic Press, New York, 2001.
- (2001) Handbook of Advanced Electronic and Photonic Materials and Devices , vol.9
- Champagne, B.¹ Kirtman, B.²

47
- 0001791139
- B. Champagne, P. Fischer, A.D. Buckingham, Chem. Phys. Lett. 331 (2000) 83.
- (2000) Chem. Phys. Lett. , vol.331 , pp. 83
- Champagne, B.¹ Fischer, P.² Buckingham, A.D.³

48
- 0001115182
- Spectroscopy: Computational methods
- P. von Ragué Schleyer (Ed.), Wiley, Chichester
- S.D. Peyerimhoff, Spectroscopy: computational methods, in: P. von Ragué Schleyer (Ed.), Encyclopedia of Computational Chemistry, Wiley, Chichester, 1998, pp. 2646-2664.
- (1998) Encyclopedia of Computational Chemistry , pp. 2646-2664
- Peyerimhoff, S.D.¹

49
- 77956776049
- J. Oddershede, Adv. Quantum Chem. 11 (1978) 275.
- (1978) Adv. Quantum Chem. , vol.11 , pp. 275
- Oddershede, J.¹

50
- 0004271308
- Chapman and Hall, London
- R.E. Moss, Advanced Molecular Quantum Mechanics, Chapman and Hall, London, 1973.
- (1973) Advanced Molecular Quantum Mechanics
- Moss, R.E.¹

51
- 0002048679
- Relativistic theory and applications
- P. von Ragué Schleyer (Ed.), Wiley, Chichester
- B.A. Hess, Relativistic theory and applications, in: P. von Ragué Schleyer (Ed.), Encyclopedia of Computational Chemistry, Wiley, Chichester, 1998, pp. 2499-2508.
- (1998) Encyclopedia of Computational Chemistry , pp. 2499-2508
- Hess, B.A.¹

52
- 0038410757
- Methods of relativistic quantum chemistry
- B.O. Roos (Ed.), Springer, Berlin
- A.J. Sadlej, Methods of relativistic quantum chemistry, in: B.O. Roos (Ed.), Lecture Notes in Chemistry II, vol, 64, Springer, Berlin, 1994, pp. 203-230.
- (1994) Lecture Notes in Chemistry II , vol.64 , pp. 203-230
- Sadlej, A.J.¹

53
- 0022810794
- C. Chang, M. Pelissier, M. Durand, Phys. Scr. 34 (1986) 394.
- (1986) Phys. Scr. , vol.34 , pp. 394
- Chang, C.¹ Pelissier, M.² Durand, M.³

54
- 0037880444
- E. van Lenthe, E.J. Baerends, J.G. Snijders, J. Chem. Phys. 99 (1993) 4597.
- (1993) J. Chem. Phys. , vol.99 , pp. 4597
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

55
- 0001392721
- K. Dyall, E. van Lenthe, J. Chem. Phys. 111 (1999) 1366.
- (1999) J. Chem. Phys. , vol.111 , pp. 1366
- Dyall, K.¹ Van Lenthe, E.²

56
- 0003457715
- Academic Press, New York
- J.E. Harriman, Theoretical Foundations of Electron Spin Resonance, Academic Press, New York, 1978.
- (1978) Theoretical Foundations of Electron Spin Resonance
- Harriman, J.E.¹

57
- 0000000159
- Fundamentals of relativistic effects in chemistry
- Z.B. Masic (Ed.), Springer, Berlin
- W.H.E. Schwarz, Fundamentals of relativistic effects in chemistry, in: Z.B. Masic (Ed.), The Concept of the Chemical Bond, vol. 2, Springer, Berlin, 1990, pp. 559-643.
- (1990) The Concept of the Chemical Bond , vol.2 , pp. 559-643
- Schwarz, W.H.E.¹

58
- 0000997712
- G.L. Sewell, Proc. Cambridge Philos. Soc. 45 (1949) 631.
- (1949) Proc. Cambridge Philos. Soc. , vol.45 , pp. 631
- Sewell, G.L.¹

59
- 0038410756
- R.A. Moore, Can. J. Phys. 53 (1975) 1240.
- (1975) Can. J. Phys. , vol.53 , pp. 1240
- Moore, R.A.¹

60
- 0038748864
- R.A. Moore, Can. J. Phys. 53 (1975) 1247.
- (1975) Can. J. Phys. , vol.53 , pp. 1247
- Moore, R.A.¹

61
- 0038072352
- R.A. Moore, Can. J. Phys. 53 (1975) 1251.
- (1975) Can. J. Phys. , vol.53 , pp. 1251
- Moore, R.A.¹

62
- 3943066480
- A. Rutkowski, J. Phys. B 19 (1986) 149.
- (1986) J. Phys. B , vol.19 , pp. 149
- Rutkowski, A.¹

63
- 3943098091
- A. Rutkowski, J. Phys. B 19 (1986) 3431.
- (1986) J. Phys. B , vol.19 , pp. 3431
- Rutkowski, A.¹

64
- 3943050797
- A. Rutkowski, J. Phys. B 19 (1986) 3443.
- (1986) J. Phys. B , vol.19 , pp. 3443
- Rutkowski, A.¹

65
- 0002528458
- W. Kutzelnigg, Z. Phys. D 11 (1989) 15.
- (1989) Z. Phys. D , vol.11 , pp. 15
- Kutzelnigg, W.¹

66
- 0002549168
- W. Kutzelnigg, Z. Phys. D 15 (1990) 27.
- (1990) Z. Phys. D , vol.15 , pp. 27
- Kutzelnigg, W.¹

67
- 36449000529
- W. Kutzelnigg, E. Ottschofski, R. Franke, J. Chem. Phys. 102 (1995) 1740.
- (1995) J. Chem. Phys. , vol.102 , pp. 1740
- Kutzelnigg, W.¹ Ottschofski, E.² Franke, R.³

68
- 0034179020
- J. Autschbach, W.H.E. Schwarz, Theor. Chem. Acc. 104 (2000) 82.
- (2000) Theor. Chem. Acc. , vol.104 , pp. 82
- Autschbach, J.¹ Schwarz, W.H.E.²

69
- 0000434185
- R.E. Moss, Mol. Phys. 38 (1979) 1611.
- (1979) Mol. Phys. , vol.38 , pp. 1611
- Moss, R.E.¹

70
- 0000150331
- J.D. Morrison, R.E. Moss, Mol. Phys. 41 (1980) 491.
- (1980) Mol. Phys. , vol.41 , pp. 491
- Morrison, J.D.¹ Moss, R.E.²

71
- 0002301173
- Die allgemeinen prinzipien der wellenmechanik
- Springer, Berlin
- W. Pauli, Die allgemeinen prinzipien der wellenmechanik, in: Handbuch der Physik, vol. 5, Springer, Berlin, 1958.
- (1958) Handbuch der Physik , vol.5
- Pauli, W.¹

72
- 0000720243
- L. Visscher, E. van Lenthe, Chem. Phys. Lett. 306 (1999) 357.
- (1999) Chem. Phys. Lett. , vol.306 , pp. 357
- Visscher, L.¹ Van Lenthe, E.²

73
- 0000059334
- H. Fukui, T. Baba, H. Inomata, J. Chem. Phys. 105 (1996) 3175.
- (1996) J. Chem. Phys. , vol.105 , pp. 3175
- Fukui, H.¹ Baba, T.² Inomata, H.³

74
- 0001124388
- G. Schreckenbach, T. Ziegler, Int. J. Quantum Chem. 61 (1997) 899.
- (1997) Int. J. Quantum Chem. , vol.61 , pp. 899
- Schreckenbach, G.¹ Ziegler, T.²

75
- 0033701904
- R. Bouten, et al., J. Chem. Phys. 104 (2000) 5600.
- (2000) J. Chem. Phys. , vol.104 , pp. 5600
- Bouten, R.¹

76
- 0001547653
- W. Kutzelnigg, J. Comput. Chem. 20 (1999) 1199.
- (1999) J. Comput. Chem. , vol.20 , pp. 1199
- Kutzelnigg, W.¹

77
- 0000399131
- N.C. Pyper, Chem. Phys. Lett. 96 (1983) 204.
- (1983) Chem. Phys. Lett. , vol.96 , pp. 204
- Pyper, N.C.¹

78
- 5844243640
- N.C. Pyper, Chem. Phys. Lett. 96 (1983) 211.
- (1983) Chem. Phys. Lett. , vol.96 , pp. 211
- Pyper, N.C.¹

79
- 21544459466
- Z.C. Zhang, G.A. Webb, J. Mol. Struct. 104 (1983) 439.
- (1983) J. Mol. Struct. , vol.104 , pp. 439
- Zhang, Z.C.¹ Webb, G.A.²

80
- 0002039088
- P. Pyykkö, Chem. Phys. 74 (1983) 1.
- (1983) Chem. Phys. , vol.74 , pp. 1
- Pyykkö, P.¹

81
- 0000791222
- P. Pyykkö, Chem. Phys. 22 (1977) 289.
- (1977) Chem. Phys. , vol.22 , pp. 289
- Pyykkö, P.¹

82
- 0000421883
- M.M. Sternheim, Phys. Rev. 128 (1962) 676.
- (1962) Phys. Rev. , vol.128 , pp. 676
- Sternheim, M.M.¹

83
- 0002281739
- H. Akai, et al., Prog. Theor. Phys. Suppl. 101 (1990) 11.
- (1990) Prog. Theor. Phys. Suppl. , vol.101 , pp. 11
- Akai, H.¹

84
- 0001191039
- S. Blügel, H. Akai, R. Zeller, P.H. Dederichs, Phys. Rev. B 35 (1987) 3271.
- (1987) Phys. Rev. B , vol.35 , pp. 3271
- Blügel, S.¹ Akai, H.² Zeller, R.³ Dederichs, P.H.⁴

85
- 84990671474
- G.A. Aucar, J. Oddershede, Int. J. Quantum Chem. 47 (1993) 425.
- (1993) Int. J. Quantum Chem. , vol.47 , pp. 425
- Aucar, G.A.¹ Oddershede, J.²

86
- 0000204404
- S.K. Wolff, T. Ziegler, E. van Lenthe, E.J. Baerends, J. Chem. Phys. 110 (1999) 7689.
- (1999) J. Chem. Phys. , vol.110 , pp. 7689
- Wolff, S.K.¹ Ziegler, T.² Van Lenthe, E.³ Baerends, E.J.⁴

87
- 0034228753
- J. Autschbach, T. Ziegler, J. Chem. Phys. 113 (2000) 936.
- (2000) J. Chem. Phys. , vol.113 , pp. 936
- Autschbach, J.¹ Ziegler, T.²

88
- 0000890971
- H. Fukui, T. Baba, J. Chem. Phys. 108 (1998) 3854.
- (1998) J. Chem. Phys. , vol.108 , pp. 3854
- Fukui, H.¹ Baba, T.²

89
- 0000083422
- Y. Nomura, Y. Takeuchi, N. Nakagawa, Tetrahedron Lett. 8 (1969) 639.
- (1969) Tetrahedron Lett. , vol.8 , pp. 639
- Nomura, Y.¹ Takeuchi, Y.² Nakagawa, N.³

90
- 0000584851
- I. Morishima, K. Endo, T. Yonezawa, J. Chem. Phys. 59 (1973) 3356.
- (1973) J. Chem. Phys. , vol.59 , pp. 3356
- Morishima, I.¹ Endo, K.² Yonezawa, T.³

91
- 0038410753
- M.I. Volodicheva, T.K. Rebane, Teor. Éksp. Khim. (Theor. Exp. Chem.) 14 (1978) 348.
- (1978) Teor. Éksp. Khim. (Theor. Exp. Chem.) , vol.14 , pp. 348
- Volodicheva, M.I.¹ Rebane, T.K.²

92
- 0001219781
- J. Vaara, K. Ruud, O. Vahtras, H. Agren, J. Jokisaari, J. Chem. Phys. 109 (1998) 1212.
- (1998) J. Chem. Phys. , vol.109 , pp. 1212
- Vaara, J.¹ Ruud, K.² Vahtras, O.³ Agren, H.⁴ Jokisaari, J.⁵

93
- 0000002708
- S.K. Wolff, T. Ziegler, J. Chem. Phys. 109 (1998) 895.
- (1998) J. Chem. Phys. , vol.109 , pp. 895
- Wolff, S.K.¹ Ziegler, T.²

94
- 0001227797
- T. Baba, H. Fukui, J. Chem. Phys. 110 (1999) 131.
- (1999) J. Chem. Phys. , vol.110 , pp. 131
- Baba, T.¹ Fukui, H.²

95
- 0000280315
- L. Visscher, T. Enevoldsen, T. Saue, H.J.A. Jensen, J. Oddershede, J. Comput. Chem. 20 (1999) 1262.
- (1999) J. Comput. Chem. , vol.20 , pp. 1262
- Visscher, L.¹ Enevoldsen, T.² Saue, T.³ Jensen, H.J.A.⁴ Oddershede, J.⁵

96
- 0001432745
- M. Hada, Y. Ishikawa, J. Nakatani, H. Nakatsuji, Chem. Phys. Lett. 310 (1999) 342.
- (1999) Chem. Phys. Lett. , vol.310 , pp. 342
- Hada, M.¹ Ishikawa, Y.² Nakatani, J.³ Nakatsuji, H.⁴

97
- 0035156022
- J. Vaara, O.L. Malkina, H. Stoll, V.G. Malkin, M. Kaupp, J. Chem. Phys. 114 (2001) 61.
- (2001) J. Chem. Phys. , vol.114 , pp. 61
- Vaara, J.¹ Malkina, O.L.² Stoll, H.³ Malkin, V.G.⁴ Kaupp, M.⁵

98
- 0012357353
- Computation of NMR shieldings and spin-spin coupling constants
- D.M. Grant, R.K. Harris (Eds.), Wiley, Chichester
- J. Autschbach, T. Ziegler, Computation of NMR shieldings and spin-spin coupling constants, in: D.M. Grant, R.K. Harris (Eds.), Encyclopedia of Nuclear Magnetic Resonance, vol. 9, Wiley, Chichester, 2002, pp. 306-323.
- (2002) Encyclopedia of Nuclear Magnetic Resonance , vol.9 , pp. 306-323
- Autschbach, J.¹ Ziegler, T.²

99
- 0012933823
- H. Fukui, Magn. Res. Rev. 11 (1987) 205.
- (1987) Magn. Res. Rev. , vol.11 , pp. 205
- Fukui, H.¹

100
- 0009671631
- D.B. Chesnut, Ann. Rep. NMR Spectrosc. 29 (1994) 71.
- (1994) Ann. Rep. NMR Spectrosc. , vol.29 , pp. 71
- Chesnut, D.B.¹

101
- 77954214663
- The calculation of NMR and ESR spectroscopy parameters using density functional theory
- J.M. Seminario, P. Politzer (Eds.), Elsevier, Amsterdam
- V.G. Malkin, O.L. Malkina, L.A. Eriksson, D.R. Salahub, The calculation of NMR and ESR spectroscopy parameters using density functional theory, in: J.M. Seminario, P. Politzer (Eds.), Modern Density Functional Theory: a Tool for Chemistry, vol. 2, Elsevier, Amsterdam, 1995, pp. 273-347.
- (1995) Modern Density Functional Theory: A Tool for Chemistry , vol.2 , pp. 273-347
- Malkin, V.G.¹ Malkina, O.L.² Eriksson, L.A.³ Salahub, D.R.⁴

102
- 19944391655
- The ab initio computation of nuclear magnetic resonance chemical shielding
- K.B. Lipkowitz, D.B. Boyd (Eds.), Ch. 5, VCH, New York
- D.B. Chesnut, The ab initio computation of nuclear magnetic resonance chemical shielding, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry, Ch. 5, vol. 8, VCH, New York, 1996, pp. 245-297.
- (1996) Reviews in Computational Chemistry , vol.8 , pp. 245-297
- Chesnut, D.B.¹

103
- 0001280099
- NMR chemical shift computation: Ab initio
- P. von Ragué Schleyer (Ed.), Wiley, Chichester
- U. Fleischer, C. van Wüllen, W. Kutzelnigg, NMR chemical shift computation: ab initio, in: P. von Ragué Schleyer (Ed.), Encyclopedia of Computational Chemistry, Wiley, Chichester, 1998, pp. 1827-1835.
- (1998) Encyclopedia of Computational Chemistry , pp. 1827-1835
- Fleischer, U.¹ Van Wüllen, C.² Kutzelnigg, W.³

104
- 0000584523
- T. Helgaker, M. Jaszuski, K. Ruud, Chem. Rev. 99 (1999) 293.
- (1999) Chem. Rev. , vol.99 , pp. 293
- Helgaker, T.¹ Jaszuski, M.² Ruud, K.³

105
- 0003096451
- M. Bühl, M. Kaupp, O.L. Malkina, V.G. Malkin, J. Comput. Chem. 20 (1998) 91.
- (1998) J. Comput. Chem. , vol.20 , pp. 91
- Bühl, M.¹ Kaupp, M.² Malkina, O.L.³ Malkin, V.G.⁴

106
- 0031887727
- M. Kaupp, O.L. Malkina, V.G. Malkin, P. Pyykkö, Chem. Eur. J. 4 (1998) 118.
- (1998) Chem. Eur. J. , vol.4 , pp. 118
- Kaupp, M.¹ Malkina, O.L.² Malkin, V.G.³ Pyykkö, P.⁴

107
- 0042597327
- Covering the entire periodic table: Relativistic density functional calculations of NMR chemical shifts in diamagnetic actinide compounds
- J.C. Facelli, A.C. de Dios (Eds.), American Chemical Society, Boston, MA
- G. Schreckenbach, S.K. Wolff, T. Ziegler, Covering the entire periodic table: relativistic density functional calculations of NMR chemical shifts in diamagnetic actinide compounds, in: J.C. Facelli, A.C. de Dios (Eds.), Modeling NMR Chemical Shifts. ACS Symposium Series 732, American Chemical Society, Boston, MA, 1999, pp. 101-114.
- (1999) Modeling NMR Chemical Shifts. ACS Symposium Series 732 , pp. 101-114
- Schreckenbach, G.¹ Wolff, S.K.² Ziegler, T.³

108
- 0000845812
- (a) M. Kaupp, V.G. Malkin, O.L. Malkina, D.R. Salahub, J. Am. Chem. Soc. 117 (1995) 1851;
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 1851
- Kaupp, M.¹ Malkin, V.G.² Malkina, O.L.³ Salahub, D.R.⁴

109
- 0000845812
- Erratum
- (b) M. Kaupp, V.G. Malkin, O.L. Malkina, DR. Salahub, J. Am. Chem. Soc. 117 (1995) 8492 (Erratum).
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 8492
- Kaupp, M.¹ Malkin, V.G.² Malkina, O.L.³ Salahub, D.R.⁴

110
- 0000765683
- M. Kaupp, O.L. Malkina, V.G, Malkin, J. Chem. Phys. 106 (1997) 9201.
- (1997) J. Chem. Phys. , vol.106 , pp. 9201
- Kaupp, M.¹ Malkina, O.L.² Malkin, V.G.³

111
- 0032793865
- M. Bühl, Chem. Eur. J. 5 (1999) 3514.
- (1999) Chem. Eur. J. , vol.5 , pp. 3514
- Bühl, M.¹

112
- 0010815723
- H. Nakatsuji, M. Sugimoto, S. Saito, Inorg. Chem. 29 (1990) 3095.
- (1990) Inorg. Chem. , vol.29 , pp. 3095
- Nakatsuji, H.¹ Sugimoto, M.² Saito, S.³

113
- 0038748863
- M. Bühl, S. Gaemers, C.J. Elsevier, Chem. Eur. J. 6 (2000) 3272.
- (2000) Chem. Eur. J. , vol.6 , pp. 3272
- Bühl, M.¹ Gaemers, S.² Elsevier, C.J.³

114
- 0000685315
- M. Kaupp, V.G. Malkin, O.L. Malkina, D.R. Salahub, Chem. Phys. Lett. 235 (1995) 382.
- (1995) Chem. Phys. Lett. , vol.235 , pp. 382
- Kaupp, M.¹ Malkin, V.G.² Malkina, O.L.³ Salahub, D.R.⁴

115
- 0001906561
- M. Kaupp, V.G. Malkin, O.L. Malkina, D.R. Salahub, Chem. Eur. J. 2 (1996) 24.
- (1996) Chem. Eur. J. , vol.2 , pp. 24
- Kaupp, M.¹ Malkin, V.G.² Malkina, O.L.³ Salahub, D.R.⁴

116
- 0000811807
- M. Kaupp, Chem. Ber. 129 (1996) 535.
- (1996) Chem. Ber. , vol.129 , pp. 535
- Kaupp, M.¹

117
- 0001220426
- M. Kaupp, Chem. Ber. 129 (1996) 527.
- (1996) Chem. Ber. , vol.129 , pp. 527
- Kaupp, M.¹

118
- 0000194181
- M. Kaupp, Chem. Eur. J. 2 (1996) 348.
- (1996) Chem. Eur. J. , vol.2 , pp. 348
- Kaupp, M.¹

119
- 0001013897
- A.W. Ehlers, Y. Ruiz-Morales, E.J. Baerends, T. Ziegler, Inorg. Chem. 36 (1997) 5031.
- (1997) Inorg. Chem. , vol.36 , pp. 5031
- Ehlers, A.W.¹ Ruiz-Morales, Y.² Baerends, E.J.³ Ziegler, T.⁴

120
- 5244286375
- Y. Ruiz-Morales, G. Schreckenbach, T. Ziegler, J. Phys. Chem. 100 (1996) 3359.
- (1996) J. Phys. Chem. , vol.100 , pp. 3359
- Ruiz-Morales, Y.¹ Schreckenbach, G.² Ziegler, T.³

121
- 0000501506
- T.M. Gilbert, T. Ziegler, J. Phys. Chem. A 103 (1999) 7535.
- (1999) J. Phys. Chem. A , vol.103 , pp. 7535
- Gilbert, T.M.¹ Ziegler, T.²

122
- 0030580003
- M. Hada, H. Kaneko, H. Nakatsuji, Chem. Phys. Lett. 261 (1996) 7.
- (1996) Chem. Phys. Lett. , vol.261 , pp. 7
- Hada, M.¹ Kaneko, H.² Nakatsuji, H.³

123
- 0032579094
- Y. Ishikawa, T. Nakajima, M. Hada, H. Nakatsuji, Chem. Phys. Lett. 283 (1998) 119.
- (1998) Chem. Phys. Lett. , vol.283 , pp. 119
- Ishikawa, Y.¹ Nakajima, T.² Hada, M.³ Nakatsuji, H.⁴

124
- 0031590093
- H. Nakatsuji, Z.-M. Hu, T. Nakajima, Chem. Phys. Lett. 275 (1997) 429.
- (1997) Chem. Phys. Lett. , vol.275 , pp. 429
- Nakatsuji, H.¹ Hu, Z.-M.² Nakajima, T.³

125
- 0030573449
- H. Nakatsuji, M. Hada, H. Kaneko, C.C. Ballard, Chem. Phys. Lett. 255 (1996) 195.
- (1996) Chem. Phys. Lett. , vol.255 , pp. 195
- Nakatsuji, H.¹ Hada, M.² Kaneko, H.³ Ballard, C.C.⁴

126
- 0035121134
- J. Wan, R. Fukuda, M. Hada, H. Nakarsuji, J. Phys. Chem. A 105 (2001) 128.
- (2001) J. Phys. Chem. A , vol.105 , pp. 128
- Wan, J.¹ Fukuda, R.² Hada, M.³ Nakarsuji, H.⁴

127
- 0034274685
- G. Schreckenbach, S.K. Wolff, T. Ziegler, J. Phys. Chem. A 104 (2000) 8244.
- (2000) J. Phys. Chem. A , vol.104 , pp. 8244
- Schreckenbach, G.¹ Wolff, S.K.² Ziegler, T.³

128
- 0000781809
- A. Rodriguez-Fortea, P. Alemany, T. Ziegler, J. Phys. Chem. A 103 (1999) 8288.
- (1999) J. Phys. Chem. A , vol.103 , pp. 8288
- Rodriguez-Fortea, A.¹ Alemany, P.² Ziegler, T.³

129
- 0004187291
- PhD thesis, Vrije Universiteit Amsterdam, Netherlands
- E. van Lenthe, The ZORA Equation, PhD thesis, Vrije Universiteit Amsterdam, Netherlands, 1996.
- (1996) The ZORA Equation
- Van Lenthe, E.¹

130
- 0003838469
- Wiley-VCH, Weinheim
- W. Koch, M.C. Holthausen, A Chemist's Guide to Density Functional Theory, Wiley-VCH, Weinheim, 2000.
- (2000) A Chemist's Guide to Density Functional Theory
- Koch, W.¹ Holthausen, M.C.²

131
- 0034607306
- D.L. Bryce, R.E. Wasylishen, J. Am. Chem. Soc. 122 (2000) 3197.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 3197
- Bryce, D.L.¹ Wasylishen, R.E.²

132
- 0002657555
- Dipolar and indirect coupling tensors in solids
- D.M. Grant, R.K. Harris (Eds.), Wiley, Chichester
- R.E. Wasylishen, Dipolar and indirect coupling tensors in solids, in: D.M. Grant, R.K. Harris (Eds.), Encyclopedia of Nuclear Magnetic Resonance, Wiley, Chichester, 1996, pp. 1685-1695.
- (1996) Encyclopedia of Nuclear Magnetic Resonance , pp. 1685-1695
- Wasylishen, R.E.¹

133
- 0001315923
- G. Breit, Phys. Rev. 35 (1930) 1447.
- (1930) Phys. Rev. , vol.35 , pp. 1447
- Breit, G.¹

134
- 84987067842
- P. Pyykkö, E. Pajanne, M. Inokuti, Int. J. Quantum Chem. 7 (1973) 785.
- (1973) Int. J. Quantum Chem. , vol.7 , pp. 785
- Pyykkö, P.¹ Pajanne, E.² Inokuti, M.³

135
- 11244337464
- S. Kirpekar, J.A. Jensen, J. Oddershede, Theor. Chim. Acta 95 (1997) 35.
- (1997) Theor. Chim. Acta , vol.95 , pp. 35
- Kirpekar, S.¹ Jensen, J.A.² Oddershede, J.³

136
- 0033260006
- S. Kirpekar, S.P.A. Sauer, Theor. Chem. Acc. 103 (1999) 146.
- (1999) Theor. Chem. Acc. , vol.103 , pp. 146
- Kirpekar, S.¹ Sauer, S.P.A.²

137
- 0034498924
- J. Autschbach, T. Ziegler, J. Chem. Phys. 113 (2000) 9410.
- (2000) J. Chem. Phys. , vol.113 , pp. 9410
- Autschbach, J.¹ Ziegler, T.²

138
- 0034837217
- J. Autschbach, T. Ziegler, J. Am. Chem. Soc. 123 (2001) 3341.
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 3341
- Autschbach, J.¹ Ziegler, T.²

139
- 0036571189
- D.L. Bryce, R.E. Wasylishen, J. Autschbach, T. Ziegler, J. Am. Chem. Soc. 124 (2002) 4894.
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 4894
- Bryce, D.L.¹ Wasylishen, R.E.² Autschbach, J.³ Ziegler, T.⁴

140
- 77956830458
- J. Kowalewski, Ann. Rep. NMR Spectrosc. 12 (1982) 81.
- (1982) Ann. Rep. NMR Spectrosc. , vol.12 , pp. 81
- Kowalewski, J.¹

141
- 0034271229
- V. Sychrovský, J. Gräfenstein, D. Cremer, J. Chem. Phys. 113 (2000) 3530.
- (2000) J. Chem. Phys. , vol.113 , pp. 3530
- Sychrovský, V.¹ Gräfenstein, J.² Cremer, D.³

142
- 0000819301
- J. Khandogin, T. Ziegler, Spectrochim. Acta A55 (1999) 607.
- (1999) Spectrochim. Acta , vol.A55 , pp. 607
- Khandogin, J.¹ Ziegler, T.²

143
- 0001704573
- T. Enevoldsen, L. Visscher, T. Saue, H.J.A. Jensen, J. Oddershede, J. Chem. Phys. 112 (2000) 3493.
- (2000) J. Chem. Phys. , vol.112 , pp. 3493
- Enevoldsen, T.¹ Visscher, L.² Saue, T.³ Jensen, H.J.A.⁴ Oddershede, J.⁵

144
- 0034811814
- J. Autschbach, T. Ziegler, J. Am. Chem. Soc. 123 (2001) 5320.
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 5320
- Autschbach, J.¹ Ziegler, T.²

145
- 84946639822
- P. Pyykkö, L. Wiesenfeld, Mol. Phys. 43 (1981) 557.
- (1981) Mol. Phys. , vol.43 , pp. 557
- Pyykkö, P.¹ Wiesenfeld, L.²

146
- 0000468663
- N. Rösch, P. Pyykk, Mol. Phys. 57 (1986) 193.
- (1986) Mol. Phys. , vol.57 , pp. 193
- Rösch, N.¹ Pyykk, P.²

147
- 0002296111
- P. Pyykkö, J. Organomet. Chem. 232 (1982) 21.
- (1982) J. Organomet. Chem. , vol.232 , pp. 21
- Pyykkö, P.¹

148
- 0029994287
- G.B. Bacskay, I. Bytheway, N.S. Hush, J. Am. Chem. Soc. 118 (1996) 3753.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 3753
- Bacskay, G.B.¹ Bytheway, I.² Hush, N.S.³

149
- 0000201516
- J. Khandogin, T. Ziegler, J. Phys. Chem. A 104 (2000) 113.
- (2000) J. Phys. Chem. A , vol.104 , pp. 113
- Khandogin, J.¹ Ziegler, T.²

150
- 44949280675
- G.A. Aucar, R.H. Contreras, J. Magn. Res. 93 (1991) 413.
- (1991) J. Magn. Res. , vol.93 , pp. 413
- Aucar, G.A.¹ Contreras, R.H.²

151
- 0030295582
- G.A. Aucar, E. Botek, S. Gómez, E. Sproviero, R.H. Contreras, J. Organomet. Chem. 524 (1996) 1.
- (1996) J. Organomet. Chem. , vol.524 , pp. 1
- Aucar, G.A.¹ Botek, E.² Gómez, S.³ Sproviero, E.⁴ Contreras, R.H.⁵

152
- 0042942361
- J.A. Gonzaléz, G.A. Aucar, M.C. Ruiz de Azúa, R.H. Contreras, Int. J. Quantum Chem. 61 (1997) 823.
- (1997) Int. J. Quantum Chem. , vol.61 , pp. 823
- Gonzaléz, J.A.¹ Aucar, G.A.² Ruiz de Azúa, M.C.³ Contreras, R.H.⁴

153
- 0002042301
- R.M. Lobayan, G.A. Aucar, J. Mol. Struct. 452 (1998) 1.
- (1998) J. Mol. Struct. , vol.452 , pp. 1
- Lobayan, R.M.¹ Aucar, G.A.²

154
- 0001823156
- R.M. Lobayan, G.A. Aucar, J. Mol. Struct. 452 (1998) 13.
- (1998) J. Mol. Struct. , vol.452 , pp. 13
- Lobayan, R.M.¹ Aucar, G.A.²

155
- 0000164993
- G.A. Aucar, T. Saue, L. Visscher, H.J.A. Jensen, J. Chem. Phys. 110 (1999) 6208.
- (1999) J. Chem. Phys. , vol.110 , pp. 6208
- Aucar, G.A.¹ Saue, T.² Visscher, L.³ Jensen, H.J.A.⁴

156
- 0002646002
- J. Vaara, K. Ruud, O. Vahtras, J. Comput. Chem. 20 (1999) 1314.
- (1999) J. Comput. Chem. , vol.20 , pp. 1314
- Vaara, J.¹ Ruud, K.² Vahtras, O.³

157
- 0035396931
- S. Patchkovskii, J. Autschbach, T. Ziegler, J. Chem. Phys. 115 (2001) 26.
- (2001) J. Chem. Phys. , vol.115 , pp. 26
- Patchkovskii, S.¹ Autschbach, J.² Ziegler, T.³

158
- 0000293586
- K.E. Berg, J. Glaser, M.C. Read, I. Tóth, J. Am. Chem. Soc. 117 (1995) 7550.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 7550
- Berg, K.E.¹ Glaser, J.² Read, M.C.³ Tóth, I.⁴

159
- 0000906447
- M. Maliarik, K. Berg, J. Glaser, M.C. Read, I. Tóth, Inorg. Chem. 37 (1998) 2910.
- (1998) Inorg. Chem. , vol.37 , pp. 2910
- Maliarik, M.¹ Berg, K.² Glaser, J.³ Read, M.C.⁴ Tóth, I.⁵

160
- 0035822218
- S. Patchkovskii, T. Ziegler, J. Phys. Chem. A 105 (2001) 5490.
- (2001) J. Phys. Chem. A , vol.105 , pp. 5490
- Patchkovskii, S.¹ Ziegler, T.²

161
- 0001686159
- G. Schreckenbach, T. Ziegler, J. Phys. Chem. A 101 (1997) 3388.
- (1997) J. Phys. Chem. A , vol.101 , pp. 3388
- Schreckenbach, G.¹ Ziegler, T.²

162
- 0003593324
- Clarendon Press, Oxford
- A. Abragam, B. Bleany, Electron Paramagnetic Resonance for Transition Ions, Clarendon Press, Oxford, 1970.
- (1970) Electron Paramagnetic Resonance for Transition Ions
- Abragam, A.¹ Bleany, B.²

163
- 0034721434
- O.L. Malkina, et al., J. Am. Chem. Soc. 122 (2000) 9206.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 9206
- Malkina, O.L.¹

164
- 0036605316
- M. Kaupp, et al., J. Comput. Chem. 23 (2002) 794.
- (2002) J. Comput. Chem. , vol.23 , pp. 794
- Kaupp, M.¹

165
- 0035936304
- F. Neese, J. Chem. Phys. 115 (2001) 11080.
- (2001) J. Chem. Phys. , vol.115 , pp. 11080
- Neese, F.¹

166
- 0001368303
- E. van Lenthe, P.E.S. Wormer, A. van der Avoird, J. Chem. Phys. 107 (1997) 2488.
- (1997) J. Chem. Phys. , vol.107 , pp. 2488
- Van Lenthe, E.¹ Wormer, P.E.S.² Van der Avoird, A.³

167
- 0001048515
- G.H. Lushington, F. Grein, Theor. Chim. Acta 93 (1996) 259.
- (1996) Theor. Chim. Acta , vol.93 , pp. 259
- Lushington, G.H.¹ Grein, F.²

168
- 0012786087
- G.H. Lushington, F. Grein, Int. J. Quantum Chem. 106 (1997) 3292.
- (1997) Int. J. Quantum Chem. , vol.106 , pp. 3292
- Lushington, G.H.¹ Grein, F.²

169
- 0001424441
- G.H. Lushington, J. Phys. Chem. A 104 (2000) 2969.
- (2000) J. Phys. Chem. A , vol.104 , pp. 2969
- Lushington, G.H.¹

170
- 0000396825
- W.H. Moores, R. McWeeny, Proc. R. Soc. Lond. A 332 (1973) 365.
- (1973) Proc. R. Soc. Lond. A , vol.332 , pp. 365
- Moores, W.H.¹ McWeeny, R.²

171
- 0037734751
- M. Ishii, K. Morihashi, O. Kikuchi, J. Mol. Struct. (Theochem.) 325 (1991) 99.
- (1991) J. Mol. Struct. (Theochem.) , vol.325 , pp. 99
- Ishii, M.¹ Morihashi, K.² Kikuchi, O.³

172
- 0031579001
- O. Vahtras, B. Minaev, H. Agren, Chem. Phys. Lett. 281 (1997) 186.
- (1997) Chem. Phys. Lett. , vol.281 , pp. 186
- Vahtras, O.¹ Minaev, B.² Agren, H.³

173
- 0000179576
- D. Jayatilaka, J. Chem. Phys. 108 (1998) 7587.
- (1998) J. Chem. Phys. , vol.108 , pp. 7587
- Jayatilaka, D.¹

174
- 22944459709
- Ab initio and density functional calculations of electronic g-tensors for organic radicals
- A. Lund, M. Shiotani (Eds.), Kluwer, Dordrecht, in press
- M. Kaupp, Ab initio and density functional calculations of electronic g-tensors for organic radicals, in: A. Lund, M. Shiotani (Eds.), EPR Spectroscopy of Free Radicals in Solids. Trends in Methods and Applications, Kluwer, Dordrecht, in press.
- EPR Spectroscopy of Free Radicals in Solids. Trends in Methods and Applications
- Kaupp, M.¹

175
- 0001726676
- S. Patchkovskii, T. Ziegler, J. Chem. Phys. 111 (1999) 5730.
- (1999) J. Chem. Phys. , vol.111 , pp. 5730
- Patchkovskii, S.¹ Ziegler, T.²

176
- 0000581010
- S. Okada, M. Shinada, O. Matsuoka, J. Chem. Phys. 93 (1990) 5013.
- (1990) J. Chem. Phys. , vol.93 , pp. 5013
- Okada, S.¹ Shinada, M.² Matsuoka, O.³

177
- 0002689474
- O.L. Malkina, et al., Chem. Phys. Lett. 296 (1998) 93.
- (1998) Chem. Phys. Lett. , vol.296 , pp. 93
- Malkina, O.L.¹

178
- 0035825971
- P. Belanzoni, E. van Lenthe, E.J. Baerends, J. Chem. Phys. 114 (2001) 4421.
- (2001) J. Chem. Phys. , vol.114 , pp. 4421
- Belanzoni, P.¹ Van Lenthe, E.² Baerends, E.J.³

179
- 0032396101
- M. Engström, B. Minaev, O. Vahtras, H. Agren, Chem. Phys. 237 (1998) 149.
- (1998) Chem. Phys. , vol.237 , pp. 149
- Engström, M.¹ Minaev, B.² Vahtras, O.³ Agren, H.⁴

180
- 0034639996
- S. Patchkovskii, T. Ziegler, J. Am. Chem. Soc. 122 (2000) 3506.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 3506
- Patchkovskii, S.¹ Ziegler, T.²

181
- 0000947958
- E. van Lenthe, A. van der Avoird, W.R. Hagen, E.J. Reijerse, J. Phys. Chem. A 104 (2000) 2070.
- (2000) J. Phys. Chem. A , vol.104 , pp. 2070
- Van Lenthe, E.¹ Van der Avoird, A.² Hagen, W.R.³ Reijerse, E.J.⁴

182
- 0035935088
- M. Wanner, T. Scheiring, W. Kaim, Inorg. Chem. 40 (2001) 5704.
- (2001) Inorg. Chem. , vol.40 , pp. 5704
- Wanner, M.¹ Scheiring, T.² Kaim, W.³

183
- 0035135780
- M. Stein, E. van Lenthe, E.J. Baerends, W. Lubitz, J. Phys. Chem. A 105 (2001) 416.
- (2001) J. Phys. Chem. A , vol.105 , pp. 416
- Stein, M.¹ Van Lenthe, E.² Baerends, E.J.³ Lubitz, W.⁴

184
- 0035924829
- M. Munzarová, M. Kaupp, J. Phys. Chem. B 105 (2001) 12644.
- (2001) J. Phys. Chem. B , vol.105 , pp. 12644
- Munzarová, M.¹ Kaupp, M.²

185
- 0000843253
- ESR hyperfine calculations
- P. von Ragué Schleyer (Ed.), Wiley, Chichester
- L.A. Eriksson, ESR hyperfine calculations, in: P. von Ragué Schleyer (Ed.), Encyclopedia of Computational Chemistry, Wiley, Chichester, 1998, pp. 952-958.
- (1998) Encyclopedia of Computational Chemistry , pp. 952-958
- Eriksson, L.A.¹

186
- 0001409167
- P.J.M. Geurts, P.C.P. Bouten, A. van der Avoird, J. Chem. Phys. 73 (1980) 1306.
- (1980) J. Chem. Phys. , vol.73 , pp. 1306
- Geurts, P.J.M.¹ Bouten, P.C.P.² Van der Avoird, A.³

187
- 0001617097
- P. Belanzoni, E.J. Baerends, S. van Asselt, P.B. Langeven, J. Phys. Chem. 99 (1995) 13094.
- (1995) J. Phys. Chem. , vol.99 , pp. 13094
- Belanzoni, P.¹ Baerends, E.J.² Van Asselt, S.³ Langeven, P.B.⁴

188
- 0000597636
- P. Belanzoni, E.J. Baerends, M. Gribnau, J. Phys. Chem. A 103 (1999) 3732.
- (1999) J. Phys. Chem. A , vol.103 , pp. 3732
- Belanzoni, P.¹ Baerends, E.J.² Gribnau, M.³

189
- 0000294079
- M. Munzarová, M. Kaupp, J. Phys. Chem. A 103 (1999) 9966.
- (1999) J. Phys. Chem. A , vol.103 , pp. 9966
- Munzarová, M.¹ Kaupp, M.²

190
- 0000092151
- E. van Lenthe, A. van der Avoird, P.E.S. Wormer, J. Chem. Phys. 108 (1998) 4783.
- (1998) J. Chem. Phys. , vol.108 , pp. 4783
- Van Lenthe, E.¹ Van der Avoird, A.² Wormer, P.E.S.³

191
- 0000113391
- Spin contamination
- P. von Ragué Schleyer (Ed.), Wiley, Chichester
- H.B. Schlegel, Spin contamination, in: P. von Ragué Schleyer (Ed.), Encyclopedia of Computational Chemistry, Wiley, Chichester, 1998, pp. 2665-2671.
- (1998) Encyclopedia of Computational Chemistry , pp. 2665-2671
- Schlegel, H.B.¹

192
- 0034614091
- M.L. Munzarová, P. Kubáček, M. Kaupp, J. Am. Chem. Soc. 111 (2000) 11900.
- (2000) J. Am. Chem. Soc. , vol.111 , pp. 11900
- Munzarová, M.L.¹ Kubáček, P.² Kaupp, M.³

193
- 0001001680
- S.M. Colwell, N.C. Handy, Chem. Phys. Lett. 217 (1994) 271.
- (1994) Chem. Phys. Lett. , vol.217 , pp. 271
- Colwell, S.M.¹ Handy, N.C.²

194
- 11744309658
- A.M. Lee, N.C. Handy, S.M. Colwell, J. Chem. Phys. 103 (1995) 10095.
- (1995) J. Chem. Phys. , vol.103 , pp. 10095
- Lee, A.M.¹ Handy, N.C.² Colwell, S.M.³

195
- 0035498050
- K. Ruud, P.-O. Astrand, P.R. Taylor, J. Phys. Chem. A 105 (2001) 9926.
- (2001) J. Phys. Chem. A , vol.105 , pp. 9926
- Ruud, K.¹ Astrand, P.-O.² Taylor, P.R.³

196
- 0003955459
- Chapman and Hall, London
- F.E. Mabbs, D.J. Machin, Magnetism and Transition Metal Complexes, Chapman and Hall, London, 1973.
- (1973) Magnetism and Transition Metal Complexes
- Mabbs, F.E.¹ Machin, D.J.²

197
- 0000446410
- U. Fleischer, W. Kutzelnigg, P. Lazeretti, V. Mühlenkamp, J. Am. Chem. Soc. 116 (1994) 5298.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 5298
- Fleischer, U.¹ Kutzelnigg, W.² Lazeretti, P.³ Mühlenkamp, V.⁴

198
- 33748222020
- H. Jiao, P. von Ragué Schleyer, Angew. Chem. Int. Ed. Engl. 32 (1993) 1763.
- (1993) Angew. Chem. Int. Ed. Engl. , vol.32 , pp. 1763
- Jiao, H.¹ Von Ragué Schleyer, P.²

199
- 36448999866
- K. Ruud, T. Helgaker, K.L. Bak, P. Jorgensen, H.J.A. Jensen, J. Chem. Phys. 99 (1993) 3847.
- (1993) J. Chem. Phys. , vol.99 , pp. 3847
- Ruud, K.¹ Helgaker, T.² Bak, K.L.³ Jorgensen, P.⁴ Jensen, H.J.A.⁵

200
- 0003154207
- K. Ruud, T. Helgaker, P. Jorgensen, K.L. Bak, Chem. Phys. Lett. 223 (1994) 12.
- (1994) Chem. Phys. Lett. , vol.223 , pp. 12
- Ruud, K.¹ Helgaker, T.² Jorgensen, P.³ Bak, K.L.⁴

201
- 0041654348
- K. Ruud, H. Skaane, T. Helgaker, K.L. Bak, P. Jorgensen, J. Am. Chem. Soc. 116 (1994) 10135.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 10135
- Ruud, K.¹ Skaane, H.² Helgaker, T.³ Bak, K.L.⁴ Jorgensen, P.⁵

202
- 0040490209
- A. Rizzo, et al., J. Chem. Phys. 102 (1995) 8953.
- (1995) J. Chem. Phys. , vol.102 , pp. 8953
- Rizzo, A.¹

203
- 0010879977
- K. Ruud, P.-O. Astrand, T. Helgaker, K.V. Mikkelsen, J. Mol. Struct. (Theochem.) 388 (1997) 231.
- (1997) J. Mol. Struct. (Theochem.) , vol.388 , pp. 231
- Ruud, K.¹ Astrand, P.-O.² Helgaker, T.³ Mikkelsen, K.V.⁴

204
- 4243292787
- C. van Wüllen, W. Kutzelnigg, J. Chem. Phys. 104 (1996) 2230.
- (1996) J. Chem. Phys. , vol.104 , pp. 2230
- Van Wüllen, C.¹ Kutzelnigg, W.²

205
- 0000431331
- P.-O. Åstrand, K.V. Mikkelsen, K. Ruud, T. Helgaker, J. Phys. Chem. 100 (1996) 19771.
- (1996) J. Phys. Chem. , vol.100 , pp. 19771
- Åstrand, P.-O.¹ Mikkelsen, K.V.² Ruud, K.³ Helgaker, T.⁴

206
- 0000018318
- P.-O. Åstrand, K. Mikkelsen, J. Chem. Phys. 104 (1996) 648.
- (1996) J. Chem. Phys. , vol.104 , pp. 648
- Åstrand, P.-O.¹ Mikkelsen, K.²

207
- 0000881582
- S.M. Cybulski, D.M. Bishop, J. Chem. Phys. 100 (1994) 2019.
- (1994) J. Chem. Phys. , vol.100 , pp. 2019
- Cybulski, S.M.¹ Bishop, D.M.²

208
- 0031559207
- S.M. Cybulski, D.M. Bishop, J. Chem. Phys. 106 (1997) 4082.
- (1997) J. Chem. Phys. , vol.106 , pp. 4082
- Cybulski, S.M.¹ Bishop, D.M.²

209
- 0038072337
- M.B. Ferraro, M.C. Caputo, J. Mol. Struct. (Theochem.) 335 (1995) 69.
- (1995) J. Mol. Struct. (Theochem.) , vol.335 , pp. 69
- Ferraro, M.B.¹ Caputo, M.C.²

210
- 0000796468
- M.B. Ferraro, M.C. Caputo, J. Chem. Phys. 110 (1999) 10706.
- (1999) J. Chem. Phys. , vol.110 , pp. 10706
- Ferraro, M.B.¹ Caputo, M.C.²

211
- 0000177812
- P.W. Fowler, E. Steiner, B. Cadioli, R. Zanasi, J. Phys. Chem. A 102 (1998) 7297.
- (1998) J. Phys. Chem. A , vol.102 , pp. 7297
- Fowler, P.W.¹ Steiner, E.² Cadioli, B.³ Zanasi, R.⁴

212
- 36449000093
- P.A. Hyams, J. Gerratt, D.L. Cooper, M. Raimondi, J. Chem. Phys. 100 (1994) 4417.
- (1994) J. Chem. Phys. , vol.100 , pp. 4417
- Hyams, P.A.¹ Gerratt, J.² Cooper, D.L.³ Raimondi, M.⁴

213
- 0030589422
- T.A. Keith, Chem. Phys. 213 (1996) 123.
- (1996) Chem. Phys. , vol.213 , pp. 123
- Keith, T.A.¹

214
- 0039390413
- K. Voges, D.H. Sutter, K. Ruud, T. Helgaker, Zeitschr. Naturforsch. Teil A 53 (1998) 67.
- (1998) Zeitschr. Naturforsch. Teil A , vol.53 , pp. 67
- Voges, K.¹ Sutter, D.H.² Ruud, K.³ Helgaker, T.⁴

215
- 0035353486
- A.R. Katritzky, K. Jug, D.C. Oniciu, Chem. Rev. 101 (2001) 1421.
- (2001) Chem. Rev. , vol.101 , pp. 1421
- Katritzky, A.R.¹ Jug, K.² Oniciu, D.C.³

216
- 0035353487
- F. De Proft, P. Geerlings, Chem. Rev. 101 (2001) 1451.
- (2001) Chem. Rev. , vol.101 , pp. 1451
- De Proft, F.¹ Geerlings, P.²

217
- 0035353538
- J.A.N.F. Gomes, R.B. Mallion, Chem. Rev. 101 (2001) 1349.
- (2001) Chem. Rev. , vol.101 , pp. 1349
- Gomes, J.A.N.F.¹ Mallion, R.B.²

218
- 0035353539
- R.H. Mitchell, Chem. Rev. 101 (2001) 1301.
- (2001) Chem. Rev. , vol.101 , pp. 1301
- Mitchell, R.H.¹

219
- 0029738905
- D.V. Simion, T.S. Sorensen, J. Am. Chem. Soc. 118 (1996) 7345.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 7345
- Simion, D.V.¹ Sorensen, T.S.²

220
- 0004074749
- J.P. Synder (Ed.), Academic Press, New York
- H.J. Dauben, Jr, J.D. Wilson, J.L. Laity, in: J.P. Synder (Ed.), Nonbenzenoid Aromaticity, vol. 2, Academic Press, New York, 1971.
- (1971) Nonbenzenoid Aromaticity , vol.2
- Dauben H.J., Jr.¹ Wilson, J.D.² Laity, J.L.³

221
- 0034716313
- P. von Ragué Schleyer, J. Am. Chem. Soc. 122 (2000) 510.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 510
- Von Ragué Schleyer, P.¹

222
- 0001007657
- R.H. Mitchell, P. Zhou, S. Venugopalan, T.W. Dingle, J. Am. Chem. Soc. 112 (1990) 7812.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 7812
- Mitchell, R.H.¹ Zhou, P.² Venugopalan, S.³ Dingle, T.W.⁴

223
- 0038072330
- Normal modes
- P. von Ragué Schleyer (Ed.), Wiley, Chichester
- W. Cornell, S. Louise-May, Normal modes, in: P. von Ragué Schleyer (Ed.), Encyclopedia of Computational Chemistry, Wiley, Chichester, 1998, pp. 1904-1913.
- (1998) Encyclopedia of Computational Chemistry , pp. 1904-1913
- Cornell, W.¹ Louise-May, S.²

224
- 85050546496
- R.D. Amos, Adv. Chem. Phys. 67 (1987) 99.
- (1987) Adv. Chem. Phys. , vol.67 , pp. 99
- Amos, R.D.¹

225
- 0024718948
- R.D. Amos, J.E. Rice, Comp. Phys. Rep. 10 (1989) 147.
- (1989) Comp. Phys. Rep. , vol.10 , pp. 147
- Amos, R.D.¹ Rice, J.E.²

226
- 0003418034
- Oxford University Press, New York
- Y. Yamaguchi, Y. Osamura, J.D. Goddard, H.F. Schaefer, III, A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab-initio Molecular Electronic Structure Theory, Oxford University Press, New York, 1994.
- (1994) A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab-initio Molecular Electronic Structure Theory
- Yamaguchi, Y.¹ Osamura, Y.² Goddard, J.D.³ Schaefer H.F. III⁴

227
- 34547564932
- R.P. Feynman, Phys. Rev. 56 (1939) 340.
- (1939) Phys. Rev. , vol.56 , pp. 340
- Feynman, R.P.¹

228
- 4243292049
- H. Nakatsuji, K. Matsuda, T. Yonetzawa, Chem. Phys. Lett. 54 (1978) 347.
- (1978) Chem. Phys. Lett. , vol.54 , pp. 347
- Nakatsuji, H.¹ Matsuda, K.² Yonetzawa, T.³

229
- 36549092414
- N.C. Handy, H.F. Schaefer, J. Chem. Phys. 81 (1984) 5031.
- (1984) J. Chem. Phys. , vol.81 , pp. 5031
- Handy, N.C.¹ Schaefer, H.F.²

230
- 85013476826
- H.B. Schlegel, Adv. Chem. Phys. 67 (1987) 249.
- (1987) Adv. Chem. Phys. , vol.67 , pp. 249
- Schlegel, H.B.¹

231
- 85050515542
- F. Bernardi, M.A. Robb, Adv. Chem. Phys. 67 (1987) 155.
- (1987) Adv. Chem. Phys. , vol.67 , pp. 155
- Bernardi, F.¹ Robb, M.A.²

232
- 0038410739
- The application of ab initio electronic structure calculations to molecules containing transition metal atoms
- D.R. Yarkony (Ed.), World Scientific, Singapore
- C.W. Bauschlicher, Jr, S.R. Langhoff, H. Partridge, The application of ab initio electronic structure calculations to molecules containing transition metal atoms, in: D.R. Yarkony (Ed.), Modern Electronic Structure Theory Part II, vol. 2, World Scientific, Singapore, 1995, pp. 1280-1374.
- (1995) Modern Electronic Structure Theory Part II , vol.2 , pp. 1280-1374
- Bauschlicher C.W., Jr.¹ Langhoff, S.R.² Partridge, H.³

233
- 36449005573
- V. Jonas, W. Thiel, J. Chem. Phys. 102 (1995) 8474.
- (1995) J. Chem. Phys. , vol.102 , pp. 8474
- Jonas, V.¹ Thiel, W.²

234
- 0001050530
- V. Jonas, W. Thiel, J. Chem. Phys. 105 (1996) 3636.
- (1996) J. Chem. Phys. , vol.105 , pp. 3636
- Jonas, V.¹ Thiel, W.²

235
- 0000138420
- V. Jonas, W. Thiel, Organomatetallics 17 (1998) 353.
- (1998) Organomatetallics , vol.17 , pp. 353
- Jonas, V.¹ Thiel, W.²

236
- 0000752113
- V. Jonas, W. Thiel, J. Phys. Chem. A 103 (1999) 1381.
- (1999) J. Phys. Chem. A , vol.103 , pp. 1381
- Jonas, V.¹ Thiel, W.²

237
- 0011083273
- A.P. Scott, L. Radom, J. Phys. Chem. 100 (1996) 16502.
- (1996) J. Phys. Chem. , vol.100 , pp. 16502
- Scott, A.P.¹ Radom, L.²

238
- 0032003674
- J. Baker, A.A. Jarzecki, P. Pulay, J. Phys. Chem. A 102 (1998) 1412.
- (1998) J. Phys. Chem. A , vol.102 , pp. 1412
- Baker, J.¹ Jarzecki, A.A.² Pulay, P.³

239
- 0000549047
- P.J. Hay, R.L. Martin, J. Chem. Phys. 109 (1998) 3875.
- (1998) J. Chem. Phys. , vol.109 , pp. 3875
- Hay, P.J.¹ Martin, R.L.²

240
- 0038868359
- A. Bérces, T. Ziegler, Top. Curr. Chem. 182 (1996) 42.
- (1996) Top. Curr. Chem. , vol.182 , pp. 42
- Bérces, A.¹ Ziegler, T.²

241
- 0038410738
- A. Bérces, et al., Comp. Phys. Comm. 100 (1997) 247.
- (1997) Comp. Phys. Comm. , vol.100 , pp. 247
- Bérces, A.¹

242
- 0031094742
- H. Jacobsen, A. Bérces, D. Swerhone, T. Ziegler, Comp. Phys. Comm. 100 (1997) 263.
- (1997) Comp. Phys. Comm. , vol.100 , pp. 263
- Jacobsen, H.¹ Bérces, A.² Swerhone, D.³ Ziegler, T.⁴

243
- 0003422324
- McGraw-Hill, New York
- E.B. Wilson, J.C. Decious, P.C. Cross, Molecular Vibrations. The Theory of Infrared and Raman Vibrational Spectra, McGraw-Hill, New York, 1955.
- (1955) Molecular Vibrations. The Theory of Infrared and Raman Vibrational Spectra
- Wilson, E.B.¹ Decious, J.C.² Cross, P.C.³

244
- 36449007663
- L. Fan, T. Ziegler, J. Chem. Phys. 96 (1992) 9005.
- (1992) J. Chem. Phys. , vol.96 , pp. 9005
- Fan, L.¹ Ziegler, T.²

245
- 0035128009
- I. Diaz-Acosta, J. Baker, W. Cordes, P. Pulay, J. Phys. Chem. A 105 (2001) 238.
- (2001) J. Phys. Chem. A , vol.105 , pp. 238
- Diaz-Acosta, I.¹ Baker, J.² Cordes, W.³ Pulay, P.⁴

246
- 25344465562
- A.A. Jarzȩcki, P.M. Kozlowski, P. Pulay, B.-H. Ye, X.-Y. Li, Spectrochim. Acta A 53 (1997) 1195.
- (1997) Spectrochim. Acta A , vol.53 , pp. 1195
- Jarzȩcki, A.A.¹ Kozlowski, P.M.² Pulay, P.³ Ye, B.-H.⁴ Li, X.-Y.⁵

247
- 0000625579
- P.M. Kozlowski, et al., J. Phys. Chem. A 103 (1999) 1357.
- (1999) J. Phys. Chem. A , vol.103 , pp. 1357
- Kozlowski, P.M.¹

248
- 85024615793
- P. Pulay, J. Mol. Struct. 347 (1995) 293.
- (1995) J. Mol. Struct. , vol.347 , pp. 293
- Pulay, P.¹

249
- 0011700354
- P. Pyykkö, J. Chem. Res. S (1979) 380.
- (1979) J. Chem. Res. S , pp. 380
- Pyykkö, P.¹

250
- 0343346890
- P. Pyykkö, J.P. Desclaux, Acc. Chem. Res. 12 (1979) 276.
- (1979) Acc. Chem. Res. , vol.12 , pp. 276
- Pyykkö, P.¹ Desclaux, J.P.²

251
- 0038218089
- P. Pyykkö, Chem. Rev. 88 (1988) 563.
- (1988) Chem. Rev. , vol.88 , pp. 563
- Pyykkö, P.¹

252
- 0038072324
- Effects on periodic trends
- Plenum, New York
- P. Pyykkö, Effects on periodic trends, in: The Effects of Relativity in Atoms, Molecules and Solids, Plenum, New York, 1991.
- (1991) The Effects of Relativity in Atoms, Molecules and Solids
- Pyykkö, P.¹

253
- 0003588966
- Van Nostrand Reinhold, New York
- K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure, Van Nostrand Reinhold, New York, 1979.
- (1979) Molecular Spectra and Molecular Structure
- Huber, K.P.¹ Herzberg, G.²

254
- 0000216001
- S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58 (1989) 1200.
- (1989) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

255
- 4243553426
- A.D. Becke, Phys. Rev. A 38 (1988) 3098.
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

256
- 5944261746
- J.P. Perdew, Phys. Rev. B 33 (1986) 8822.
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

257
- 4043083704
- J.P. Perdew, Phys. Rev. B 34 (1986) 7406.
- (1986) Phys. Rev. B , vol.34 , pp. 7406
- Perdew, J.P.¹

258
- 0038410720
- PhD thesis, University of Siegen, Siegen, Germany
- J. Autschbach, About the calculation of relativistic effects, and about the interpretation of their trends in atoms and molecules (in German), PhD thesis, University of Siegen, Siegen, Germany, 1999.
- (1999) About the Calculation of Relativistic Effects, and About the Interpretation of their Trends in Atoms and Molecules (In German)
- Autschbach, J.¹

259
- 36449002610
- C. van Wüllen, J. Chem. Phys. 103 (1995) 3589.
- (1995) J. Chem. Phys. , vol.103 , pp. 3589
- Van Wüllen, C.¹

260
- 0039128076
- P. Schwerdtfeger, M. Dolg, W.H.E. Schwarz, G.A. Bowmaker, P.W. Boyd, J. Chem. Phys. 91 (1989) 1762.
- (1989) J. Chem. Phys. , vol.91 , pp. 1762
- Schwerdtfeger, P.¹ Dolg, M.² Schwarz, W.H.E.³ Bowmaker, G.A.⁴ Boyd, P.W.⁵

261
- 0003034924
- U. Kaldor, B.A. Heß, Chem. Phys. Lett. 230 (1994) 1.
- (1994) Chem. Phys. Lett. , vol.230 , pp. 1
- Kaldor, U.¹ Heß, B.A.²

262
- 0038748840
- PhD thesis, Universität Siegen, Shaker Verlag, Aachen
- S.G. Wang, Relativistische effekte und chemische bindung, PhD thesis, Universität Siegen, Shaker Verlag, Aachen, 1994.
- (1994) Relativistische Effekte und Chemische Bindung
- Wang, S.G.¹

263
- 36749120374
- T. Ziegler, J.G. Snijders, E.J. Baerends, J. Chem. Phys 74 (1981) 1271.
- (1981) J. Chem. Phys , vol.74 , pp. 1271
- Ziegler, T.¹ Snijders, J.G.² Baerends, E.J.³

264
- 19944397060
- C.L. Collins, K.G. Dyall, H.F. Schaefer, III, J. Chem. Phys. 102 (1995) 2024.
- (1995) J. Chem. Phys. , vol.102 , pp. 2024
- Collins, C.L.¹ Dyall, K.G.² Schaefer H.F. III³

265
- 0003141107
- J.G. Snijders, P. Pyykkö, Chem. Phys. Lett. 75 (1980) 5.
- (1980) Chem. Phys. Lett. , vol.75 , pp. 5
- Snijders, J.G.¹ Pyykkö, P.²

266
- 84987125992
- T. Ziegler, J.G. Snijders, E.J. Baerends, Chem. Phys. Lett. 75 (1980) 1.
- (1980) Chem. Phys. Lett. , vol.75 , pp. 1
- Ziegler, T.¹ Snijders, J.G.² Baerends, E.J.³

267
- 0003304509
- P.A. Christiansen, W.C. Ermler, Mol. Phys. 55 (1985) 1109.
- (1985) Mol. Phys. , vol.55 , pp. 1109
- Christiansen, P.A.¹ Ermler, W.C.²

268
- 0013388767
- W.H.E. Schwarz, Phys. Scr. 36 (1987) 403.
- (1987) Phys. Scr. , vol.36 , pp. 403
- Schwarz, W.H.E.¹

269
- 0009170259
- W.H.E. Schwarz, S. Chu, Mol. Phys. 50 (1983) 603.
- (1983) Mol. Phys. , vol.50 , pp. 603
- Schwarz, W.H.E.¹ Chu, S.²

270
- 0000946514
- A. Rutkowski, D. Rutkowska, W.H.E. Schwarz, Theor. Chim. Acta 84 (1992) 105.
- (1992) Theor. Chim. Acta , vol.84 , pp. 105
- Rutkowski, A.¹ Rutkowska, D.² Schwarz, W.H.E.³

271
- 0001669569
- A. Rutkowski, W.H.E. Schwarz, Theor. Chim. Acta 76 (1990) 391.
- (1990) Theor. Chim. Acta , vol.76 , pp. 391
- Rutkowski, A.¹ Schwarz, W.H.E.²

272
- 0037734722
- Nonsingular relativistic perturbation theory and relativistic changes of molecular structure
- Plenum, New York
- W.H.E. Schwarz, A. Rutkowski, G. Collignon, Nonsingular relativistic perturbation theory and relativistic changes of molecular structure, in: The Effects of Relativity in Atoms, Molecules and the Solid State, Plenum, New York, 1991, pp. 135-146.
- (1991) The Effects of Relativity in Atoms, Molecules and the Solid State , pp. 135-146
- Schwarz, W.H.E.¹ Rutkowski, A.² Collignon, G.³

273
- 0038410728
- in preparation
- J. Autschbach, W.H.E. Schwarz, in preparation.
- Autschbach, J.¹ Schwarz, W.H.E.²

274
- 0031552544
- U. Hohm, D. Goebel, S. Grimme, Chem. Phys. Lett. 272 (1997) 328.
- (1997) Chem. Phys. Lett. , vol.272 , pp. 328
- Hohm, U.¹ Goebel, D.² Grimme, S.³

275
- 0000186252
- Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions
- D.R. Yarkony (Ed.), World Scientific, Singapore
- J. Olsen, P. Jorgensen, Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions, in: D.R. Yarkony (Ed.), Modern electronic Structure Theory Part II, vol. 2, World Scientific, Singapore, 1995, pp. 857-990.
- (1995) Modern Electronic Structure Theory Part II , vol.2 , pp. 857-990
- Olsen, J.¹ Jorgensen, P.²

276
- 0035808716
- S.P. Apell, J.R. Sabin, S.B. Trickey, J. Oddershede, Int. J. Quantum Chem. 86 (2002) 35.
- (2002) Int. J. Quantum Chem. , vol.86 , pp. 35
- Apell, S.P.¹ Sabin, J.R.² Trickey, S.B.³ Oddershede, J.⁴

277
- 0012695967
- D.S. Yakovlev, A.P. Mirgorodskiibreve, A.V. Tulub, B.F. Shchegolev, Opt. Spectrosc. 92 (2002) 449.
- (2002) Opt. Spectrosc. , vol.92 , pp. 449
- Yakovlev, D.S.¹ Mirgorodskiibreve, A.P.² Tulub, A.V.³ Shchegolev, B.F.⁴

278
- 0037040790
- L. Jensen, P.-O. Astrand, A. Osted, J. Kongsted, K.V. Mikkelsen, J. Chem. Phys. 116 (2002) 4001.
- (2002) J. Chem. Phys. , vol.116 , pp. 4001
- Jensen, L.¹ Astrand, P.-O.² Osted, A.³ Kongsted, J.⁴ Mikkelsen, K.V.⁵

279
- 0035884051
- L. Jensen, P.-O. Astrand, K.V. Mikkelsen, Int. J. Quantum Chem. 84 (2001) 513.
- (2001) Int. J. Quantum Chem. , vol.84 , pp. 513
- Jensen, L.¹ Astrand, P.-O.² Mikkelsen, K.V.³

280
- 0035281322
- K. Ruud, D. Jonsson, P.R. Taylor, J. Chem. Phys. 114 (2001) 4331.
- (2001) J. Chem. Phys. , vol.114 , pp. 4331
- Ruud, K.¹ Jonsson, D.² Taylor, P.R.³

281
- 0035830246
- F.L. Gu, D.M. Bishop, B. Kirtman, J. Chem. Phys. 115 (2001) 10548.
- (2001) J. Chem. Phys. , vol.115 , pp. 10548
- Gu, F.L.¹ Bishop, D.M.² Kirtman, B.³

282
- 0035909756
- S. Millefiori, A. Alparone, J. Phys. Chem. A 105 (2001) 9489.
- (2001) J. Phys. Chem. A , vol.105 , pp. 9489
- Millefiori, S.¹ Alparone, A.²

283
- 0033732112
- P.P. Korambath, S.P. Karna, J. Phys. Chem. A 104 (2000) 4801.
- (2000) J. Phys. Chem. A , vol.104 , pp. 4801
- Korambath, P.P.¹ Karna, S.P.²

284
- 0000752682
- A. Derevianko, W.R. Johnson, M.S. Safronova, J.F. Babb, Phys. Rev. Lett. 82 (1999) 3589.
- (1999) Phys. Rev. Lett. , vol.82 , pp. 3589
- Derevianko, A.¹ Johnson, W.R.² Safronova, M.S.³ Babb, J.F.⁴

285
- 0034325104
- J.M. Luis, B. Champagne, B. Kirtman, Int. J. Quantum Chem. 80 (2000) 471.
- (2000) Int. J. Quantum Chem. , vol.80 , pp. 471
- Luis, J.M.¹ Champagne, B.² Kirtman, B.³

286
- 0039109377
- M.F. Costa, T.L. Fonseca, O.A.V. Amaral, M.A. Castro, Phys. Lett. 263 (1999) 186.
- (1999) Phys. Lett. , vol.263 , pp. 186
- Costa, M.F.¹ Fonseca, T.L.² Amaral, O.A.V.³ Castro, M.A.⁴

287
- 0001837407
- G. Schurer, P. Gedeck, M. Gottschalk, T. Clark, Int. J. Quantum Chem. 75 (1999) 17.
- (1999) Int. J. Quantum Chem. , vol.75 , pp. 17
- Schurer, G.¹ Gedeck, P.² Gottschalk, M.³ Clark, T.⁴

288
- 0034187202
- H. Reis, M.G. Papadopoulos, I. Boustani, Int. J. Quantum Chem. 78 (2000) 131.
- (2000) Int. J. Quantum Chem. , vol.78 , pp. 131
- Reis, H.¹ Papadopoulos, M.G.² Boustani, I.³

289
- 0345847533
- K. Deng, J. Yang, C.T. Chan, Phys. Rev. A 61 (2000) 25201.
- (2000) Phys. Rev. A , vol.61 , pp. 25201
- Deng, K.¹ Yang, J.² Chan, C.T.³

290
- 0001564450
- L. Jensen, P.-O. Astrand, K.O. Sylvester-Hvid, K.V. Mikkelsen, J. Phys. Chem. A 7 (104) 1563.
- J. Phys. Chem. A , vol.7 , Issue.104 , pp. 1563
- Jensen, L.¹ Astrand, P.-O.² Sylvester-Hvid, K.O.³ Mikkelsen, K.V.⁴

291
- 0041853285
- Quantum mechanical-molecular mechanical calculations of (hyper-)polarizabilities with the direct reaction field approach
- American Chemical Society, Boston, MA
- P.T. van Duijnen, M. Swart, F. Grozema, Quantum Mechanical-Molecular Mechanical Calculations of (Hyper-)Polarizabilities with the Direct Reaction Field Approach. ACS Symposium Series, vol. 712, American Chemical Society, Boston, MA, 1999, pp. 220-233.
- (1999) ACS Symposium Series , vol.712 , pp. 220-233
- Van Duijnen, P.T.¹ Swart, M.² Grozema, F.³

292
- 0001672471
- B. Champagne, D.H. Mosley, J.G. Fripiat, J.-M. Andre, Adv. Quantum Chem. 35 (1999) 95.
- (1999) Adv. Quantum Chem. , vol.35 , pp. 95
- Champagne, B.¹ Mosley, D.H.² Fripiat, J.G.³ Andre, J.-M.⁴

293
- 0000730684
- G. Maroulis, C. Makris, U. Hohm, U. Wachsmuth, J. Phys. Chem. A 103 (1999) 4359.
- (1999) J. Phys. Chem. A , vol.103 , pp. 4359
- Maroulis, G.¹ Makris, C.² Hohm, U.³ Wachsmuth, U.⁴

294
- 0000802499
- K. Jackson, M. Pederson, C.-Z. Wang, K.-M. Ho, Phys. Rev. A 59 (1999) 3685.
- (1999) Phys. Rev. A , vol.59 , pp. 3685
- Jackson, K.¹ Pederson, M.² Wang, C.-Z.³ Ho, K.-M.⁴

295
- 84962343678
- B. Champagne, B. Mennucci, M. Cossi, R. Cammi, J. Tomasi, Chem. Phys. 238 (1998) 153.
- (1998) Chem. Phys. , vol.238 , pp. 153
- Champagne, B.¹ Mennucci, B.² Cossi, M.³ Cammi, R.⁴ Tomasi, J.⁵

296
- 0031167866
- P. Norman, Y. Luo, D. Jonsson, H. Agren, J. Chem. Phys. 106 (1997) 8788.
- (1997) J. Chem. Phys. , vol.106 , pp. 8788
- Norman, P.¹ Luo, Y.² Jonsson, D.³ Agren, H.⁴

297
- 84962448857
- R. Cammi, M. Cossi, B. Mennucci, J. Tomasi, J. Chem. Phys. 105 (1996) 10556.
- (1996) J. Chem. Phys. , vol.105 , pp. 10556
- Cammi, R.¹ Cossi, M.² Mennucci, B.³ Tomasi, J.⁴

298
- 0001052676
- Y. Luo, H. Ågren, H. Koch, P. Jorgensen, T. Helgaker, Phys. Rev. B 51 (1995) 14949.
- (1995) Phys. Rev. B , vol.51 , pp. 14949
- Luo, Y.¹ Ågren, H.² Koch, H.³ Jorgensen, P.⁴ Helgaker, T.⁵

299
- 0001456891
- J.M. Stout, C.E. Dykstra, J. Am. Chem. Soc. 117 (1995) 5127.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 5127
- Stout, J.M.¹ Dykstra, C.E.²

300
- 0000943735
- C.L. Darling, H.B. Schlegel, J. Phys. Chem. 98 (1994) 5855.
- (1994) J. Phys. Chem. , vol.98 , pp. 5855
- Darling, C.L.¹ Schlegel, H.B.²

301
- 0000237217
- S. Karna, Chem. Phys. Lett. 214 (1994) 186.
- (1994) Chem. Phys. Lett. , vol.214 , pp. 186
- Karna, S.¹

302
- 0005052002
- P. Lazzeretti, M. Malagoli, L. Turci, R. Zanasi, J. Chem. Phys. 99 (1993) 6027.
- (1993) J. Chem. Phys. , vol.99 , pp. 6027
- Lazzeretti, P.¹ Malagoli, M.² Turci, L.³ Zanasi, R.⁴

303
- 0038410711
- M.K. Harbola, B. Bhattacharya, H.M. Upadhyaya, S. Chandra, Solid State Commun. 98 (1996) 1629.
- (1996) Solid State Commun. , vol.98 , pp. 1629
- Harbola, M.K.¹ Bhattacharya, B.² Upadhyaya, H.M.³ Chandra, S.⁴

304
- 0036536064
- M. Cafiero, L. Adamowicz, J. Chem. Phys. 116 (2002) 5557.
- (2002) J. Chem. Phys. , vol.116 , pp. 5557
- Cafiero, M.¹ Adamowicz, L.²

305
- 0035610582
- M. Jaszunski, A. Rizzo, P. Jorgensen, Theor. Chem. Acc. 106 (2001) 251.
- (2001) Theor. Chem. Acc. , vol.106 , pp. 251
- Jaszunski, M.¹ Rizzo, A.² Jorgensen, P.³

306
- 0035939324
- M. Medved, M. Urban, V. Kellö, G.H.F. Diercksen, J. Mol. Struct. (Theochem.) 547 (2001) 219.
- (2001) J. Mol. Struct. (Theochem.) , vol.547 , pp. 219
- Medved, M.¹ Urban, M.² Kellö, V.³ Diercksen, G.H.F.⁴

307
- 0035527144
- G. Maroulis, P. Karamanis, Chem. Phys. 269 (2001) 137.
- (2001) Chem. Phys. , vol.269 , pp. 137
- Maroulis, G.¹ Karamanis, P.²

308
- 0010729736
- G.L. Bendazzoli, V. Magnasco, G. Figari, M. Rui, Chem. Phys. Lett. 330 (2000) 146.
- (2000) Chem. Phys. Lett. , vol.330 , pp. 146
- Bendazzoli, G.L.¹ Magnasco, V.² Figari, G.³ Rui, M.⁴

309
- 0034229017
- M. Jaszunski, W. Klopper, J. Noga, J. Chem. Phys. 113 (2000) 71.
- (2000) J. Chem. Phys. , vol.113 , pp. 71
- Jaszunski, M.¹ Klopper, W.² Noga, J.³

310
- 0001569772
- H.L. Larsen, et al., J. Chem. Phys. 111 (1999) 1917.
- (1999) J. Chem. Phys. , vol.111 , pp. 1917
- Larsen, H.L.¹

311
- 0000625078
- O. Christiansen, J. Gauss, J.F. Stanton, Chem. Phys. Lett. 305 (1999) 147.
- (1999) Chem. Phys. Lett. , vol.305 , pp. 147
- Christiansen, O.¹ Gauss, J.² Stanton, J.F.³

312
- 0000488610
- O. Christiansen, C. Hättig, J. Gauss, J. Chem. Phys. 109 (1998) 4745.
- (1998) J. Chem. Phys. , vol.109 , pp. 4745
- Christiansen, O.¹ Hättig, C.² Gauss, J.³

313
- 0001735225
- O. Christiansen, J. Gauss, J.F. Stanton, Chem. Phys. Lett. 292 (1998) 437.
- (1998) Chem. Phys. Lett. , vol.292 , pp. 437
- Christiansen, O.¹ Gauss, J.² Stanton, J.F.³

314
- 0031587556
- O. Christiansen, A. Halkier, P. Jorgensen, Chem. Phys. Lett. 281 (1998) 438.
- (1998) Chem. Phys. Lett. , vol.281 , pp. 438
- Christiansen, O.¹ Halkier, A.² Jorgensen, P.³

315
- 0000119849
- O. Christiansen, A. Halkier, H. Koch, P. Jorgensen, T. Helgaker, J. Chem. Phys. 108 (1998) 2801.
- (1998) J. Chem. Phys. , vol.108 , pp. 2801
- Christiansen, O.¹ Halkier, A.² Koch, H.³ Jorgensen, P.⁴ Helgaker, T.⁵

316
- 0032337160
- P. Piecuch, V. Spirko, J. Paldus, Pol. J. Chem. S 72 (1998) 1635.
- (1998) Pol. J. Chem. S , vol.72 , pp. 1635
- Piecuch, P.¹ Spirko, V.² Paldus, J.³

317
- 0037734726
- A. Cartier, M.T.C. Martins-Costa, D. Rinaldi, Int. J. Quantum Chem. 60 (1996) 883.
- (1996) Int. J. Quantum Chem. , vol.60 , pp. 883
- Cartier, A.¹ Martins-Costa, M.T.C.² Rinaldi, D.³

318
- 0030123118
- C. Hättig, B.A. Hess, J. Phys. Chem. 100 (1996) 6243.
- (1996) J. Phys. Chem. , vol.100 , pp. 6243
- Hättig, C.¹ Hess, B.A.²

319
- 0001230328
- C. Hättig, B.A. Hess, J. Chem. Phys. 105 (1996) 9948.
- (1996) J. Chem. Phys. , vol.105 , pp. 9948
- Hättig, C.¹ Hess, B.A.²

320
- 0030605490
- F. Aiga, R. Itoh, Chem. Phys. Lett. 251 (1996) 372.
- (1996) Chem. Phys. Lett. , vol.251 , pp. 372
- Aiga, F.¹ Itoh, R.²

321
- 0000617476
- B. Datta, P. Sen, D. Mukherjee, J. Phys. Chem. 99 (1995) 6441.
- (1995) J. Phys. Chem. , vol.99 , pp. 6441
- Datta, B.¹ Sen, P.² Mukherjee, D.³

322
- 0003093295
- R. Kobayashi, H. Koch, P. Jorgensen, Chem. Phys. Lett. 219 (1994) 30.
- (1994) Chem. Phys. Lett. , vol.219 , pp. 30
- Kobayashi, R.¹ Koch, H.² Jorgensen, P.³

323
- 84987159615
- S.P.A. Sauer, J. Oddershede, Int. J. Quantum Chem. 50 (1994) 317.
- (1994) Int. J. Quantum Chem. , vol.50 , pp. 317
- Sauer, S.P.A.¹ Oddershede, J.²

324
- 84962468413
- W. Zhu, G.-S. Wu, Y. Jiang, Int. J. Quantum Chem. 86 (2002) 347.
- (2002) Int. J. Quantum Chem. , vol.86 , pp. 347
- Zhu, W.¹ Wu, G.-S.² Jiang, Y.³

325
- 0035581217
- F.C. Grozema, R. Telesca, H.T. Jonkman, L.D.A. Siebbeles, J.G. Snijders, J. Chem. Phys. 115 (2001) 10014.
- (2001) J. Chem. Phys. , vol.115 , pp. 10014
- Grozema, F.C.¹ Telesca, R.² Jonkman, H.T.³ Siebbeles, L.D.A.⁴ Snijders, J.G.⁵

326
- 45849156005
- S.J.A. van Gisbergen, J.M. Pacheco, E.J. Baerends, Phys. Rev. A 63 (2001) 63201.
- (2001) Phys. Rev. A , vol.63 , pp. 63201
- Van Gisbergen, S.J.A.¹ Pacheco, J.M.² Baerends, E.J.³

327
- 0000023796
- S.J.A. van Gisbergen, C. Fonseca-Guerra, E.J. Baerends, J. Comput. Chem. 21 (2000) 1511.
- (2000) J. Comput. Chem. , vol.21 , pp. 1511
- Van Gisbergen, S.J.A.¹ Fonseca-Guerra, C.² Baerends, E.J.³

328
- 0000211269
- P.R.T. Schipper, O.V. Gritsenko, S.J.A. van Gisbergen, E.J. Baerends, J. Chem. Phys. 112 (2000) 1344.
- (2000) J. Chem. Phys. , vol.112 , pp. 1344
- Schipper, P.R.T.¹ Gritsenko, O.V.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴

329
- 0001683214
- P. Calaminici, K. Jug, A.M. Koster, J. Chem. Phys. 109 (1998) 7756.
- (1998) J. Chem. Phys. , vol.109 , pp. 7756
- Calaminici, P.¹ Jug, K.² Koster, A.M.³

330
- 0000864358
- P. Fuentealba, O. Reyes, J. Phys. Chem. A 103 (1999) 1376.
- (1999) J. Phys. Chem. A , vol.103 , pp. 1376
- Fuentealba, P.¹ Reyes, O.²

331
- 0031592909
- A.G. Ioannou, S.M. Colwell, R.D. Amos, Chem. Phys. Lett. 278 (1997) 278.
- (1997) Chem. Phys. Lett. , vol.278 , pp. 278
- Ioannou, A.G.¹ Colwell, S.M.² Amos, R.D.³

332
- 0000216088
- S.M. Colwell, N.C. Handy, A.M. Lee, Phys. Rev. A 53 (1996) 1316.
- (1996) Phys. Rev. A , vol.53 , pp. 1316
- Colwell, S.M.¹ Handy, N.C.² Lee, A.M.³

333
- 0000747387
- J. Guan, M.E. Casida, A.M. Koster, D.R. Salahub, Phys. Rev. B 52 (1995) 2184.
- (1995) Phys. Rev. B , vol.52 , pp. 2184
- Guan, J.¹ Casida, M.E.² Koster, A.M.³ Salahub, D.R.⁴

334
- 0000756970
- I.S. Lim, et al., Phys. Rev. A 60 (1999) 2822.
- (1999) Phys. Rev. A , vol.60 , pp. 2822
- Lim, I.S.¹

335
- 0035908059
- W. Cencek, K. Szalewicz, B. Jeziorski, Phys. Rev. Lett. 86 (2001) 5675.
- (2001) Phys. Rev. Lett. , vol.86 , pp. 5675
- Cencek, W.¹ Szalewicz, K.² Jeziorski, B.³

336
- 0031206469
- L. Visscher, T. Saue, J. Oddershede, Chem. Phys. Lett. 274 (1997) 181.
- (1997) Chem. Phys. Lett. , vol.274 , pp. 181
- Visscher, L.¹ Saue, T.² Oddershede, J.³

337
- 0033740228
- T.R. Cundari, H.A. Kurtz, T. Zhou, J. Phys. Chem. A 104 (2000) 4711.
- (2000) J. Phys. Chem. A , vol.104 , pp. 4711
- Cundari, T.R.¹ Kurtz, H.A.² Zhou, T.³

338
- 33748623078
- D. Goebel, U. Hohm, J. Chem. Soc. Faraday Trans. 93 (1997) 3467.
- (1997) J. Chem. Soc. Faraday Trans. , vol.93 , pp. 3467
- Goebel, D.¹ Hohm, U.²

339
- 0004236128
- Academic Press, New York
- W. Kauzmann, Quantum Chemistry, Academic Press, New York, 1957.
- (1957) Quantum Chemistry
- Kauzmann, W.¹

340
- 0032503758
- C. van Caillie, R.D. Amos, Chem. Phys. Lett. 291 (1998) 71.
- (1998) Chem. Phys. Lett. , vol.291 , pp. 71
- Van Caillie, C.¹ Amos, R.D.²

341
- 0004279489
- Wiley, Chichester
- P. Jensen, P.R. Buenker (Eds.), Computatonal Molecular Spectroscopy, Wiley, Chichester, 2000.
- (2000) Computatonal Molecular Spectroscopy
- Jensen, P.¹ Buenker, P.R.²

342
- 0003968991
- Wiley, New York
- E.I. Solomon, A.B.P. Lever (Eds.), Inorganic Electronic Structure and Spectroscopy, vols. 1-2, Wiley, New York, 1999.
- (1999) Inorganic Electronic Structure and Spectroscopy , vol.1-2
- Solomon, E.I.¹ Lever, A.B.P.²

343
- 0038410719
- D.B. Boyd, K.B. Lipkowitz (Eds.), Ch. 2, VCH, New York
- M.C. Zerner, in: D.B. Boyd, K.B. Lipkowitz (Eds.), Reviews in Computational Chemistry, Ch. 2, vol. 8, VCH, New York, 1991.
- (1991) Reviews in Computational Chemistry , vol.8
- Zerner, M.C.¹

344
- 0001694717
- S.I. Gorelsky, A.B.P. Lever, J. Organomet. Chem. 635 (2001) 187.
- (2001) J. Organomet. Chem. , vol.635 , pp. 187
- Gorelsky, S.I.¹ Lever, A.B.P.²

345
- 0001636067
- O.V. Sizova, V.I. Baranovski, N.V. Ivanova, A.I. Panin, Int. J. Quantum Chem. 65 (1997) 183.
- (1997) Int. J. Quantum Chem. , vol.65 , pp. 183
- Sizova, O.V.¹ Baranovski, V.I.² Ivanova, N.V.³ Panin, A.I.⁴

346
- 0037842487
- M. Grüning, O.V. Gritsenko, S.J.A. van Gisbergen, E.J. Baerends, J. Chem. Phys. 114 (2001) 652.
- (2001) J. Chem. Phys. , vol.114 , pp. 652
- Grüning, M.¹ Gritsenko, O.V.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴

347
- 0035979142
- G. Ricciardi, A. Rosa, E.J. Baerends, J. Phys. Chem. A 105 (2001) 5242.
- (2001) J. Phys. Chem. A , vol.105 , pp. 5242
- Ricciardi, G.¹ Rosa, A.² Baerends, E.J.³

348
- 0035810497
- A. Rosa, G. Ricciardi, E.J. Baerends, S.J.A. van Gisbergen, J. Phys. Chem. A 105 (2001) 3311.
- (2001) J. Phys. Chem. A , vol.105 , pp. 3311
- Rosa, A.¹ Ricciardi, G.² Baerends, E.J.³ Van Gisbergen, S.J.A.⁴

349
- 0001684847
- G. Ricciardi, A. Rosa, S.J.A. van Gisbergen, E.J. Baerends, J. Phys. Chem. A 104 (2000) 635.
- (2000) J. Phys. Chem. A , vol.104 , pp. 635
- Ricciardi, G.¹ Rosa, A.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴

350
- 0033544366
- A. Rosa, et al., J. Am. Chem. Soc. 121 (1999) 10356.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 10356
- Rosa, A.¹

351
- 0001353936
- S.J.A. van Gisbergen, J.A. Groeneveld, A. Rosa, J.G. Snijders, E.J. Baerends, J. Phys. Chem. A 103 (1999) 6835.
- (1999) J. Phys. Chem. A , vol.103 , pp. 6835
- Van Gisbergen, S.J.A.¹ Groeneveld, J.A.² Rosa, A.³ Snijders, J.G.⁴ Baerends, E.J.⁵

352
- 1542776405
- E.U. Condon, Rev. Mod. Phys. 9 (1937) 432.
- (1937) Rev. Mod. Phys. , vol.9 , pp. 432
- Condon, E.U.¹

353
- 0001478278
- A. Moscowitz, Adv. Chem. Phys. 4 (1962) 67.
- (1962) Adv. Chem. Phys. , vol.4 , pp. 67
- Moscowitz, A.¹

354
- 0003462530
- Wiley, New York
- E. Charney, The Molecular Basis of Optical Activity, Wiley, New York, 1979.
- (1979) The Molecular Basis of Optical Activity
- Charney, E.¹

355
- 0000662541
- A.E. Hansen, T.D. Bouman, Adv. Chem. Phys. 44 (1980) 545.
- (1980) Adv. Chem. Phys. , vol.44 , pp. 545
- Hansen, A.E.¹ Bouman, T.D.²

356
- 0001968991
- R.D. Amos, Chem. Phys. Lett. 87 (1982) 23.
- (1982) Chem. Phys. Lett. , vol.87 , pp. 23
- Amos, R.D.¹

357
- 0031750235
- P.L. Polavarapu, D.K. Chakraborty, J. Am. Chem. Soc. 120 (1998) 6160.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 6160
- Polavarapu, P.L.¹ Chakraborty, D.K.²

358
- 0000001360
- S. Grimme, Chem. Phys. Lett. 339 (2001) 380.
- (2001) Chem. Phys. Lett. , vol.339 , pp. 380
- Grimme, S.¹

359
- 0003524757
- New York: Wiley-Interscience
- D.J. Caldwell, H. Eyring, The Theory of Optical Activity, New York: Wiley-Interscience, 1971.
- (1971) The Theory of Optical Activity
- Caldwell, D.J.¹ Eyring, H.²

360
- 0003307262
- K. Yabana, G.F. Bertsch, Phys. Rev. A 60 (1999) 1271.
- (1999) Phys. Rev. A , vol.60 , pp. 1271
- Yabana, K.¹ Bertsch, G.F.²

361
- 0034090652
- F. Furche, et al., J. Am. Chem. Soc. 122 (2000) 1717.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 1717
- Furche, F.¹

362
- 0001556625
- J.R. Cheeseman, M.J. Frisch, F.J. Devlin, P.J. Stephens, J. Phys. Chem. A 104 (2000) 1039.
- (2000) J. Phys. Chem. A , vol.104 , pp. 1039
- Cheeseman, J.R.¹ Frisch, M.J.² Devlin, F.J.³ Stephens, P.J.⁴

363
- 0000420236
- P.L. Polavarapu, D.K. Chakraborty, K. Ruud, Chem. Phys. Lett. 319 (2000) 595.
- (2000) Chem. Phys. Lett. , vol.319 , pp. 595
- Polavarapu, P.L.¹ Chakraborty, D.K.² Ruud, K.³

364
- 84962397796
- P.J. Stephens, et al., Tetrahedron: Asymmetry 11 (2000) 2443.
- (2000) Tetrahedron: Asymmetry , vol.11 , pp. 2443
- Stephens, P.J.¹

365
- 84962476313
- P.J. Stephens, F.J. Devlin, J.R. Cheeseman, M.J. Frisch, J. Phys. Chem. A 105 (2001) 5356.
- (2001) J. Phys. Chem. A , vol.105 , pp. 5356
- Stephens, P.J.¹ Devlin, F.J.² Cheeseman, J.R.³ Frisch, M.J.⁴

366
- 0035875629
- F. Furche, R. Ahlrichs, J. Chem. Phys. 114 (2001) 10362.
- (2001) J. Chem. Phys. , vol.114 , pp. 10362
- Furche, F.¹ Ahlrichs, R.²

367
- 0037080906
- J. Autschbach, T. Ziegler, J. Chem. Phys. 116 (2002) 891.
- (2002) J. Chem. Phys. , vol.116 , pp. 891
- Autschbach, J.¹ Ziegler, T.²

368
- 0037156098
- J. Autschbach, T. Ziegler, S.J.A. van Gisbergen, E.J. Baerends, J. Chem. Phys. 116 (2002) 6930.
- (2002) J. Chem. Phys. , vol.116 , pp. 6930
- Autschbach, J.¹ Ziegler, T.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴

369
- 0037043411
- J. Autschbach, T. Ziegler, S. Patchkovskii, S.J.A. van Gisbergen, E.J. Baerends, J. Chem. Phys. 117 (2002) 581.
- (2002) J. Chem. Phys. , vol.117 , pp. 581
- Autschbach, J.¹ Ziegler, T.² Patchkovskii, S.³ Van Gisbergen, S.J.A.⁴ Baerends, E.J.⁵

370
- 0000230721
- S. Grimme, M. Waletzke, J. Chem. Phys. 111 (1999) 5645.
- (1999) J. Chem. Phys. , vol.111 , pp. 5645
- Grimme, S.¹ Waletzke, M.²

371
- 0037028480
- K. Ruud, T. Helgaker, Chem. Phys. Lett. 352 (2002) 533.
- (2002) Chem. Phys. Lett. , vol.352 , pp. 533
- Ruud, K.¹ Helgaker, T.²

372
- 0342699712
- R. Nunez Miguel, J.A. Lopez Sastre, D. Galiesto, A. Gordaliza Ramos, J. Mol. Struct. 522 (2000) 219.
- (2000) J. Mol. Struct. , vol.522 , pp. 219
- Nunez Miguel, R.¹ Lopez Sastre, J.A.² Galiesto, D.³ Gordaliza Ramos, A.⁴

373
- 0038072318
- T.B. Pedersen, H. Koch, Chem. Phys. Lett. 293 (1998) 251.
- (1998) Chem. Phys. Lett. , vol.293 , pp. 251
- Pedersen, T.B.¹ Koch, H.²

374
- 0000092068
- P.L. Polavarapu, C. Zhao, Chem. Phys. Lett. 296 (1998) 105.
- (1998) Chem. Phys. Lett. , vol.296 , pp. 105
- Polavarapu, P.L.¹ Zhao, C.²

375
- 0031315083
- F. Pulm, J. Schramm, J. Hormes, S. Grimme, S. Peyerimhoff, Chem. Phys. 224 (1997) 143.
- (1997) Chem. Phys. , vol.224 , pp. 143
- Pulm, F.¹ Schramm, J.² Hormes, J.³ Grimme, S.⁴ Peyerimhoff, S.⁵

376
- 33845561172
- A. Rauk, A.F. Drake, S.F. Mason, J. Am. Chem. Soc. 101 (1979) 2284.
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 2284
- Rauk, A.¹ Drake, A.F.² Mason, S.F.³

377
- 0001684860
- K.D. Bak, et al., Theor. Chim. Acta 90 (1995) 441.
- (1995) Theor. Chim. Acta , vol.90 , pp. 441
- Bak, K.D.¹

378
- 84990706268
- A.E. Hansen, B. Voigt, S. Rettrup, Int. J. Quantum Chem. 23 (1983) 595.
- (1983) Int. J. Quantum Chem. , vol.23 , pp. 595
- Hansen, A.E.¹ Voigt, B.² Rettrup, S.³

379
- 0038072312
- J.-P. Flament, H.-P. Gervais, Theor. Chim. Acta 61 (1982) 149.
- (1982) Theor. Chim. Acta , vol.61 , pp. 149
- Flament, J.-P.¹ Gervais, H.-P.²

380
- 0001051931
- A. Rauk, J. Am. Chem. Soc. 103 (1981) 1023.
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 1023
- Rauk, A.¹

381
- 0038072311
- A. Rauk, J.M. Barriel, Chem. Phys. 25 (1977) 409.
- (1977) Chem. Phys. , vol.25 , pp. 409
- Rauk, A.¹ Barriel, J.M.²

382
- 0003546549
- VCH, New York
- K. Nakanishi, N. Berova, R.W. Woody (Eds.), Circular Dichroism: Principles and Applications, VCH, New York, 1994.
- (1994) Circular Dichroism: Principles and Applications
- Nakanishi, K.¹ Berova, N.² Woody, R.W.³

383
- 0037504898
- Theoretical approach to natural electronic optical activity
- K. Nakanishi, N. Berova, R.W. Woody (Eds.), VCH, New York
- A. Volosov, R.W. Woody, Theoretical approach to natural electronic optical activity, in: K. Nakanishi, N. Berova, R.W. Woody (Eds.), Circular Dichroism. Principles and Applications, VCH, New York, 1994.
- (1994) Circular Dichroism. Principles and Applications
- Volosov, A.¹ Woody, R.W.²

384
- 0002238575
- Circular dichroism of inorganic complexes: Interpretation and applications
- K. Nakanishi, N. Berova, R.W. Woody (Eds.), VCH, New York
- R. Kuroda, Y. Saito, Circular dichroism of inorganic complexes: interpretation and applications, in: K. Nakanishi, N. Berova, R.W. Woody (Eds.), Circular Dichroism. Principles and Applications, VCH, New York, 1994.
- (1994) Circular Dichroism. Principles and Applications
- Kuroda, R.¹ Saito, Y.²

385
- 0003814051
- McGraw-Hill, London
- C.J. Ballhausen, Molecular Electronic Structures of Transition Metal Complexes, McGraw-Hill, London, 1979.
- (1979) Molecular Electronic Structures of Transition Metal Complexes
- Ballhausen, C.J.¹

386
- 0040883717
- Stereochemistry of optically active transition metal compounds
- Americal Chemical Society, Washington, DC
- B.E. Douglas, Y. Saito (Eds.), Stereochemistry of Optically Active Transition Metal Compounds. ACS Symposium Series, vol. 119, Americal Chemical Society, Washington, DC, 1980.
- (1980) ACS Symposium Series , vol.119
- Douglas, B.E.¹ Saito, Y.²

387
- 1942514419
- S.F. Mason, B.J. Peart, J. Chem. Soc. Dalton Trans. (1977) 937.
- (1977) J. Chem. Soc. Dalton Trans. , pp. 937
- Mason, S.F.¹ Peart, B.J.²

388
- 0035832504
- S. Alvarez, M. Pinsky, M. Llunell, D. Avnir, Cryst. Eng. 4 (2001) 179.
- (2001) Cryst. Eng. , vol.4 , pp. 179
- Alvarez, S.¹ Pinsky, M.² Llunell, M.³ Avnir, D.⁴

389
- 0034809582
- K.B. Lipkowitz, S. Schefzick, J. Am. Chem. Soc. 123 (2001) 6710.
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 6710
- Lipkowitz, K.B.¹ Schefzick, S.²

390
- 0034965236
- S. Alvarez, M. Pinsky, D. Avnir, Eur. J. Inorg. Chem. (2001) 1499.
- (2001) Eur. J. Inorg. Chem. , pp. 1499
- Alvarez, S.¹ Pinsky, M.² Avnir, D.³

391
- 0035862624
- S. Keinan, D. Avnir, Inorg. Chem. 40 (2001) 318.
- (2001) Inorg. Chem. , vol.40 , pp. 318
- Keinan, S.¹ Avnir, D.²

392
- 0002074121
- S. Grimme, Chem. Phys. Lett. 297 (1998) 15.
- (1998) Chem. Phys. Lett. , vol.297 , pp. 15
- Grimme, S.¹

393
- 0037842497
- S.F. Mason, R.H. Seal, Mol. Phys. 31 (1976) 755.
- (1976) Mol. Phys. , vol.31 , pp. 755
- Mason, S.F.¹ Seal, R.H.²

394
- 0037504895
- P.E. Schipper, J. Am. Chem. Soc. 100 (1978) 1433.
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 1433
- Schipper, P.E.¹

395
- 0037504894
- R.W. Strickland, Inorg. Chem. 12 (1973) 1025.
- (1973) Inorg. Chem. , vol.12 , pp. 1025
- Strickland, R.W.¹

396
- 0038518904
- R.S. Evans, A.F. Schreiner, P.J. Hauser, Inorg. Chem. 13 (1974) 2185.
- (1974) Inorg. Chem. , vol.13 , pp. 2185
- Evans, R.S.¹ Schreiner, A.F.² Hauser, P.J.³

397
- 0038518905
- F.S. Richardson, T.R. Faulkner, J. Chem. Phys. 76 (1982) 1595.
- (1982) J. Chem. Phys. , vol.76 , pp. 1595
- Richardson, F.S.¹ Faulkner, T.R.²

398
- 0012056030
- J.D. Saxe, T.R. Faulkner, F.S. Richardson, J. Chem. Phys. 76 (1982) 1607.
- (1982) J. Chem. Phys. , vol.76 , pp. 1607
- Saxe, J.D.¹ Faulkner, T.R.² Richardson, F.S.³

399
- 37049134404
- A.J. McCaffery, S.F. Mason, B.J. Norman, J. Chem. Soc. A (1969) 1428.
- (1969) J. Chem. Soc. A , pp. 1428
- McCaffery, A.J.¹ Mason, S.F.² Norman, B.J.³

400
- 37049141418
- S.F. Mason, B.J. Norman, J. Chem. Soc. A (1969) 1442.
- (1969) J. Chem. Soc. A , pp. 1442
- Mason, S.F.¹ Norman, B.J.²

401
- 20544473936
- M. Král, A. Moscowitz, C.J. Ballhausen, Theor. Chim. Acta 30 (1973) 339.
- (1973) Theor. Chim. Acta , vol.30 , pp. 339
- Král, M.¹ Moscowitz, A.² Ballhausen, C.J.³

402
- 4243741118
- M. Král, Theor. Chim. Acta 50 (1979) 355.
- (1979) Theor. Chim. Acta , vol.50 , pp. 355
- Král, M.¹

403
- 4243930693
- in press
- J. Autschbach, F.E. Jorge, T. Ziegler, Inorg. Chem. (2003) in press.
- (2003) Inorg. Chem.
- Autschbach, J.¹ Jorge, F.E.² Ziegler, T.³

404
- 0038748833
- PhD thesis, University of Calgary
- D. Yang, Implementation of ab initio vibronic coupling theory to interpret vibrational dichroism spectra, PhD thesis, University of Calgary, 1992.
- (1992) Implementation of Ab Initio Vibronic Coupling Theory to Interpret Vibrational Dichroism Spectra
- Yang, D.¹

405
- 0000074580
- P.J. Stephens, J. Phys. Chem. 89 (1985) 748.
- (1985) J. Phys. Chem. , vol.89 , pp. 748
- Stephens, P.J.¹

406
- 0000798673
- L.A. Nafie, T.B. Freedman, J. Phys. Chem. 78 (1983) 7108.
- (1983) J. Phys. Chem. , vol.78 , pp. 7108
- Nafie, L.A.¹ Freedman, T.B.²

407
- 0012350953
- D.P. Craig, T. Thirunamachandran, Mol. Phys. 35 (1978) 825.
- (1978) Mol. Phys. , vol.35 , pp. 825
- Craig, D.P.¹ Thirunamachandran, T.²

408
- 0038748837
- L.A. Nafie, J. Chem. Phys. 96 (1992) 5687.
- (1992) J. Chem. Phys. , vol.96 , pp. 5687
- Nafie, L.A.¹

409
- 0007844765
- D. Yang, A. Rauk, J. Chem. Phys. 100 (1994) 7995.
- (1994) J. Chem. Phys. , vol.100 , pp. 7995
- Yang, D.¹ Rauk, A.²

410
- 0007793411
- P.J. Stephens, C.F. Chabalowski, F.J. Devlin, K.J. Jalkanen, Chem. Phys. Lett. 225 (1994) 247.
- (1994) Chem. Phys. Lett. , vol.225 , pp. 247
- Stephens, P.J.¹ Chabalowski, C.F.² Devlin, F.J.³ Jalkanen, K.J.⁴

411
- 0035860998
- Y. He, X. Cao, L.A. Nafie, T.A. Freedman, J. Am. Chem. Soc. 123 (2001) 11320.
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 11320
- He, Y.¹ Cao, X.² Nafie, L.A.³ Freedman, T.A.⁴

412
- 0001428823
- R. Dutler, A. Rauk, J. Am. Chem. Soc. 111 (1989) 6957.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 6957
- Dutler, R.¹ Rauk, A.²

413
- 0038748838
- P.L. Polavarapu, P.K. Bose, J. Chem. Phys. 93 (1990).
- (1990) J. Chem. Phys. , vol.93
- Polavarapu, P.L.¹ Bose, P.K.²

414
- 33751392356
- A. Rauk, D. Yang, J. Phys. Chem. 96 (1992) 437.
- (1992) J. Phys. Chem. , vol.96 , pp. 437
- Rauk, A.¹ Yang, D.²

415
- 0001032418
- D. Yang, A. Rauk, J. Chem. Phys. 97 (1992) 6517.
- (1992) J. Chem. Phys. , vol.97 , pp. 6517
- Yang, D.¹ Rauk, A.²

416
- 0000397705
- K.L. Bak, P. Jørgensen, T. Helgaker, K. Ruud, H.J.A. Jensen, J. Chem. Phys. 98 (1993) 8873.
- (1993) J. Chem. Phys. , vol.98 , pp. 8873
- Bak, K.L.¹ Jørgensen, P.² Helgaker, T.³ Ruud, K.⁴ Jensen, H.J.A.⁵

417
- 0030580848
- J.R. Cheeseman, M.J. Frisch, F.J. Devlin, P.J. Stephens, Chem. Phys. Lett. 252 (1996) 211.
- (1996) Chem. Phys. Lett. , vol.252 , pp. 211
- Cheeseman, J.R.¹ Frisch, M.J.² Devlin, F.J.³ Stephens, P.J.⁴

418
- 0030018579
- F.J. Devlin, P.J. Stephens, J.R. Cheeseman, M.J. Frisch, J. Am. Chem. Soc. 118 (1996) 6327.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 6327
- Devlin, F.J.¹ Stephens, P.J.² Cheeseman, J.R.³ Frisch, M.J.⁴

419
- 0000839045
- P.J. Stephens, C.S. Ashvar, F.J. Devlin, J.R. Cheeseman, M.J. Frisch, Mol. Phys. 89 (1996) 579.
- (1996) Mol. Phys. , vol.89 , pp. 579
- Stephens, P.J.¹ Ashvar, C.S.² Devlin, F.J.³ Cheeseman, J.R.⁴ Frisch, M.J.⁵

420
- 0033466066
- H.G. Bohr, K.J. Jalkanen, M. Elstner, K. Frimand, S. Suhai, Chem. Phys. 246 (1999) 13.
- (1999) Chem. Phys. , vol.246 , pp. 13
- Bohr, H.G.¹ Jalkanen, K.J.² Elstner, M.³ Frimand, K.⁴ Suhai, S.⁵

421
- 0034063201
- P.J. Stephens, F.J. Devlin, Chirality 12 (2000) 172.
- (2000) Chirality , vol.12 , pp. 172
- Stephens, P.J.¹ Devlin, F.J.²

422
- 0342577770
- P. Bour, et al., Chirality 12 (2000) 191.
- (2000) Chirality , vol.12 , pp. 191
- Bour, P.¹

423
- 0037061932
- T.B. Freedman, X. Cao, D.A. Young, L.A. Nafie, J. Phys. Chem. A 106 (2002) 3560.
- (2002) J. Phys. Chem. A , vol.106 , pp. 3560
- Freedman, T.B.¹ Cao, X.² Young, D.A.³ Nafie, L.A.⁴

424
- 0038072317
- E.J. Corey, J.C. Bailar Jr., J. Am. Chem. Soc. 81 (1959).
- (1959) J. Am. Chem. Soc. , vol.81
- Corey, E.J.¹ Bailar J.C., Jr.²

425
- 0000865282
- P.J. Stephens, J. Chem. Phys. 52 (1979) 3489.
- (1979) J. Chem. Phys. , vol.52 , pp. 3489
- Stephens, P.J.¹

426
- 0037734738
- H.F. Hameka, J. Chem. Phys. 36 (1962) 2540.
- (1962) J. Chem. Phys. , vol.36 , pp. 2540
- Hameka, H.F.¹

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