SCOPUS 정보 검색 플랫폼

Journal of Physical Chemistry A

Volumn 101, Issue 30, 1997, Pages 5437-5445

Toward improved force fields. 1. Multipole-derived atomic charges

(3) Winn, Peter J a Ferenczy, György G b,c Reynolds, Christopher A a

a UNIVERSITY OF ESSEX (United Kingdom)

b INSTITUTE OF EXPERIMENTAL MEDICINE (Hungary)

c GEDEON RICHTER LTD (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CORRELATION METHODS; ELECTRIC FIELD EFFECTS; ELECTRONIC DENSITY OF STATES; ELECTRONS; ELECTROSTATICS; FREE ENERGY; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; POLARIZATION; REGRESSION ANALYSIS;

HARTEE FOCK CHARGES; MOLLER PLESSETT PERTURBATION THEORY; PARR NONLOCAL DENSITY FUNCTIONAL METHOD;

ELECTRIC CHARGE;

EID: 0031192137 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp971202t Document Type: Article

Times cited : (46)

References (70)

1
- 0001389325
- Ferenczy, G. G. J. Comput. Chem. 1991, 12, 913-917.
- (1991) J. Comput. Chem. , vol.12 , pp. 913-917
- Ferenczy, G.G.¹

2
- 0001675597
- Chipot, C.; Ángyán, J.,G.; Ferenczy, G. G.; Scheraga, H. A. J. Phys. Chem. 1993, 97, 6628-6636.
- (1993) J. Phys. Chem. , vol.97 , pp. 6628-6636
- Chipot, C.¹ Ángyán, J.G.² Ferenczy, G.G.³ Scheraga, H.A.⁴

3
- 0001475763
- Stone, A. J. Chem. Phys. Lett. 1981, 83, 233-239.
- (1981) J. Chem. Phys. Lett. , vol.83 , pp. 233-239
- Stone, A.¹

4
- 0001548657
- Náray-Szabó, G.; Ferenczy, G. G. Chem. Rev. 1995, 95, 829-847.
- (1995) Chem. Rev. , vol.95 , pp. 829-847
- Náray-Szabó, G.¹ Ferenczy, G.G.²

5
- 84986513563
- Cox, S. R.; Williams, D. E. J. Comput. Chem. 1981, 2, 304-323.
- (1981) J. Comput. Chem. , vol.2 , pp. 304-323
- Cox, S.R.¹ Williams, D.E.²

6
- 84988098098
- Chirlian, L. E.; Francl, M. M. J. Comput. Chem. 1987, 8, 894-905.
- (1987) J. Comput. Chem. , vol.8 , pp. 894-905
- Chirlian, L.E.¹ Francl, M.M.²

7
- 84986468608
- Singh, U. C.; Kollman, P. A. J Comput. Chem. 1984, 5, 129-145.
- (1984) J Comput. Chem. , vol.5 , pp. 129-145
- Singh, U.C.¹ Kollman, P.A.²

8
- 84986513567
- Breneman, C. M.; Wiberg, K. B. J. Comput. Chem. 1990, 11, 361-373.
- (1990) J. Comput. Chem. , vol.11 , pp. 361-373
- Breneman, C.M.¹ Wiberg, K.B.²

9
- 85033167369
- Submitted to
- Winn, P. J.; Ferenczy, G. G.; Reynolds, C. A. Submitted to J. Phys. Chem. Winn, P. J.; Reynolds, C. A. Submitted to J. Phys. Chem as paper 3 in the series.
- J. Phys. Chem.
- Winn, P.J.¹ Ferenczy, G.G.² Reynolds, C.A.³

10
- 85033188553
- Submitted to as paper 3 in the series
- Winn, P. J.; Ferenczy, G. G.; Reynolds, C. A. Submitted to J. Phys. Chem. Winn, P. J.; Reynolds, C. A. Submitted to J. Phys. Chem as paper 3 in the series.
- J. Phys. Chem
- Winn, P.J.¹ Reynolds, C.A.²

11
- 4043145996
- Wiberg, K. B.; Rablen, P. R. J. Comput. Chem. 1993, 14, 1505-1518.
- (1993) J. Comput. Chem. , vol.14 , pp. 1505-1518
- Wiberg, K.B.¹ Rablen, P.R.²

12
- 0000956152
- Reynolds, C. A.; Essex, J. W.; Richards, W. G. J. Am. Chem. Soc. 1992, 114, 9075-9079.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 9075-9079
- Reynolds, C.A.¹ Essex, J.W.² Richards, W.G.³

13
- 0029298032
- Wampler, J. E. J. Chem. Inf. Sci. 1995, 35, 617-632.
- (1995) J. Chem. Inf. Sci. , vol.35 , pp. 617-632
- Wampler, J.E.¹

14
- 0000021801
- Luque, F. J.; Orozco, M.; Illas, F.; Rubio, J. J Am. Chem. Soc. 1991, 113, 5203-5211.
- (1991) J Am. Chem. Soc. , vol.113 , pp. 5203-5211
- Luque, F.J.¹ Orozco, M.² Illas, F.³ Rubio, J.⁴

15
- 0042135069
- Carpenter, J. E.; McGrath, M. P.; Hehre, W. J. J. Am. Chem. Soc. 1989, 111, 6154-6156.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 6154-6156
- Carpenter, J.E.¹ McGrath, M.P.² Hehre, W.J.³

16
- 0011603338
- Velders, G. J. M.; Fell, D. J. Phys. Chem. 1992, 96, 10725-10735.
- (1992) J. Phys. Chem. , vol.96 , pp. 10725-10735
- Velders, G.J.M.¹ Fell, D.²

17
- 36549098713
- Sokalski, W. A.; Sawaryn, A. J. Chem. Phys. 1987, 87, 526-534.
- (1987) J. Chem. Phys. , vol.87 , pp. 526-534
- Sokalski, W.A.¹ Sawaryn, A.²

18
- 0027898592
- Sokalski, W. A.; Keller, D. A.; Ornstein, R. L.; Rein, R. J. Comput. Chem. 1993, 14, 970-976.
- (1993) J. Comput. Chem. , vol.14 , pp. 970-976
- Sokalski, W.A.¹ Keller, D.A.² Ornstein, R.L.³ Rein, R.⁴

19
- 84988053595
- Singh, U. C.; Kollman, P. A. J. Comput. Chem. 1986, 7, 718-730. Besler, B. H.; Merz, K. M.; Kollman, P. A. J. Comput. Chem. 1990, 11, 431-439. Carlson, H. A.; Nguyen, T. B.; Orozco, M.; Jorgensen, W. L. J. Comput. Chem. 1993, 14, 1240-1249.
- (1986) J. Comput. Chem. , vol.7 , pp. 718-730
- Singh, U.C.¹ Kollman, P.A.²

20
- 84986492477
- Singh, U. C.; Kollman, P. A. J. Comput. Chem. 1986, 7, 718-730. Besler, B. H.; Merz, K. M.; Kollman, P. A. J. Comput. Chem. 1990, 11, 431-439. Carlson, H. A.; Nguyen, T. B.; Orozco, M.; Jorgensen, W. L. J. Comput. Chem. 1993, 14, 1240-1249.
- (1990) J. Comput. Chem. , vol.11 , pp. 431-439
- Besler, B.H.¹ Merz, K.M.² Kollman, P.A.³

21
- 84913589567
- Singh, U. C.; Kollman, P. A. J. Comput. Chem. 1986, 7, 718-730. Besler, B. H.; Merz, K. M.; Kollman, P. A. J. Comput. Chem. 1990, 11, 431-439. Carlson, H. A.; Nguyen, T. B.; Orozco, M.; Jorgensen, W. L. J. Comput. Chem. 1993, 14, 1240-1249.
- (1993) J. Comput. Chem. , vol.14 , pp. 1240-1249
- Carlson, H.A.¹ Nguyen, T.B.² Orozco, M.³ Jorgensen, W.L.⁴

22
- 4043117842
- RSC, Cambridge, 1994
- Reynolds, C. A. Annu. Rep. B 1993, 51-70, RSC, Cambridge, 1994
- (1993) Annu. Rep. B , pp. 51-70
- Reynolds, C.A.¹

23
- 0003990718
- issue 5.1; Cambridge, United Kingdom, (CADPAC 5.2 was also used for a small proportion of the calculations.)
- Amos, R. D.; Albert, I. L., Andrews; J. S., Colwell, S. M.; Handy, N. C.; Jayatilaka, D.; Knowles, P. J.; Kobayashi, R.; Koga, N.; Laidig, K. E.; Maslen, P. E.; Murray, C. W.; Rice, J. E.; Sanz, J.; Simandiras, E. D.; Stone, A. J.; Su, M. D. CADPAC: The Cambridge Analytic Package, issue 5.1; Cambridge, United Kingdom, 1992. (CADPAC 5.2 was also used for a small proportion of the calculations.)
- (1992) CADPAC: The Cambridge Analytic Package
- Amos, R.D.¹ Albert, I.L.² Andrews, J.S.³ Colwell, S.M.⁴ Handy, N.C.⁵ Jayatilaka, D.⁶ Knowles, P.J.⁷ Kobayashi, R.⁸ Koga, N.⁹ Laidig, K.E.¹⁰ Maslen, P.E.¹¹ Murray, C.W.¹² Rice, J.E.¹³ Sanz, J.¹⁴ Simandiras, E.D.¹⁵ Stone, A.J.¹⁶ Su, M.D.¹⁷

24
- 33748545144
- Hariharan, P. C.; Pople, J. A. Theor Chim. Acta 1973, 28, 213-222.
- (1973) Theor Chim. Acta , vol.28 , pp. 213-222
- Hariharan, P.C.¹ Pople, J.A.²

25
- 84873055189
- Wiley Interscience: New York
- Hehre, W. J.; Radom, L.; Schleyer, P. V. R.; Pople, J. A. Ab initio Molecular Orbital Theory; Wiley Interscience: New York, 1986. Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry, Macmillan: New York, 1982.
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

26
- 0003468774
- Macmillan: New York
- Hehre, W. J.; Radom, L.; Schleyer, P. V. R.; Pople, J. A. Ab initio Molecular Orbital Theory; Wiley Interscience: New York, 1986. Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry, Macmillan: New York, 1982.
- (1982) Modern Quantum Chemistry
- Szabo, A.¹ Ostlund, N.S.²

27
- 84887525551
- Gaussian Inc.: Pittsburgh, PA
- Frisch, M. J.; Trucks, G. W.; Gill, P. W. M., Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 92/DFT Revision G.3; Gaussian Inc.: Pittsburgh, PA, 1993.
- (1993) Gaussian 92/DFT Revision G.3
- Frisch, M.J.¹ Trucks, G.W.² Gill, P.W.M.³ Johnson, B.G.⁴ Wong, M.W.⁵ Foresman, J.B.⁶ Robb, M.A.⁷ Head-Gordon, M.⁸ Replogle, E.S.⁹ Pople, J.A.¹⁰

28
- 84986450629
- Ferenczy, G. G.; Reynolds, C. A.; Richards, W. G. J. Comput. Chem. 1990, 11, 159-169.
- (1990) J. Comput. Chem. , vol.11 , pp. 159-169
- Ferenczy, G.G.¹ Reynolds, C.A.² Richards, W.G.³

29
- 0842341771
- Dewar M. J. S.; Zoebisch E. G.; Healy E. F.; Stewart J. J. P. J. Am. Chem. Soc. 1985, 107, 3902-3909.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902-3909
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

30
- 0003996909
- Frank J. Seiler Research Laboratory: US Air Force Academy, Colarado Springs, CO 80840
- Stewart, J. J. P. MOPAC 6.0, Frank J. Seiler Research Laboratory: US Air Force Academy, Colarado Springs, CO 80840.
- MOPAC 6.0
- Stewart, J.J.P.¹

31
- 0003569570
- OUP: New York
- Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; OUP: New York, 1989.
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

32
- 4243553426
- Becke, A. D. Phys Rev A 1988, 38, 3098-3100.
- (1988) Phys Rev A , vol.38 , pp. 3098-3100
- Becke, A.D.¹

33
- 0345491105
- Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
- (1988) Phys. Rev. B , vol.37 , pp. 785-789
- Lee, C.¹ Yang, W.² Parr, R.G.³

34
- 33846410438
- Slater, J. C. Phys. Rev. 1951, 81, 385-390. Vosko, S. J.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200-1211.
- (1951) Phys. Rev. , vol.81 , pp. 385-390
- Slater, J.C.¹

35
- 33846410438
- Slater, J. C. Phys. Rev. 1951, 81, 385-390. Vosko, S. J.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200-1211.
- (1980) Can. J. Phys. , vol.58 , pp. 1200-1211
- Vosko, S.J.¹ Wilk, L.² Nusair, M.³

36
- 6944251055
- Møller, C.; Plessett, M. S. Phys. Rev. 1934, 46, 618-622.
- (1934) Phys. Rev. , vol.46 , pp. 618-622
- Møller, C.¹ Plessett, M.S.²

37
- 0024578173
- Beveridge, D. L.; DiCapua, F. M. Annu Rev Biophys. Biophys. 1989, 18, 431-492.
- (1989) Annu Rev Biophys. Biophys. , vol.18 , pp. 431-492
- Beveridge, D.L.¹ DiCapua, F.M.²

38
- 0004300890
- University of California: San Francisco
- Pearlman, D. A.; Case, D. A.; Caldwell, C. J.; Seibel, G. C.; Singh, U. C.; Weiner, P.; Kollman, P. A. AMBER 4.0; University of California: San Francisco, 1991.
- (1991) AMBER 4.0
- Pearlman, D.A.¹ Case, D.A.² Caldwell, C.J.³ Seibel, G.C.⁴ Singh, U.C.⁵ Weiner, P.⁶ Kollman, P.A.⁷

39
- 0021757436
- Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S.; Weiner, P. J. Am. Chem. Soc. 1984, 106, 765-784. Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230-252.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 765-784
- Weiner, S.J.¹ Kollman, P.A.² Case, D.A.³ Singh, U.C.⁴ Ghio, C.⁵ Alagona, G.⁶ Profeta, S.⁷ Weiner, P.⁸

40
- 84988053694
- Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S.; Weiner, P. J. Am. Chem. Soc. 1984, 106, 765-784. Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230-252.
- (1986) J. Comput. Chem. , vol.7 , pp. 230-252
- Weiner, S.J.¹ Kollman, P.A.² Nguyen, D.T.³ Case, D.A.⁴

41
- 9144240095
- Mayo, S. L.; Olafson, D. B.; Goddard, W. A. J. Phys. Chem. 1990, 94, 8897-8909.
- (1990) J. Phys. Chem. , vol.94 , pp. 8897-8909
- Mayo, S.L.¹ Olafson, D.B.² Goddard, W.A.³

42
- 0004016501
- Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem Phys. 1983, 79, 926-935.
- (1983) J. Chem Phys. , vol.79 , pp. 926-935
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

43
- 0343380162
- Carey C.; Chirlian L. E.; Gange D. M.; Francl, M. M. J. Comput. Chem. 1996, 17, 367-383.
- (1996) J. Comput. Chem. , vol.17 , pp. 367-383
- Carey, C.¹ Chirlian, L.E.² Gange, D.M.³ Francl, M.M.⁴

44
- 0001516994
- Stouch, T. R.; Williams, D. E. J. Comput. Chem. 1993, 14, 858-866.
- (1993) J. Comput. Chem. , vol.14 , pp. 858-866
- Stouch, T.R.¹ Williams, D.E.²

45
- 3042524904
- Bayly, C. I.; Cieplak, P.; Cornell, W. D.; Kollman, P. A. J. Phys. Chem. Soc. 1993, 97, 10269-10280.
- (1993) J. Phys. Chem. Soc. , vol.97 , pp. 10269-10280
- Bayly, C.I.¹ Cieplak, P.² Cornell, W.D.³ Kollman, P.A.⁴

46
- 0041434820
- Wright, J. D.; Reynolds, C. A. Int J. Quantum Chem. 1996, 59, 135-145.
- (1996) Int J. Quantum Chem. , vol.59 , pp. 135-145
- Wright, J.D.¹ Reynolds, C.A.²

47
- 0001668995
- Price, S. L.; Andrews, J. S.; Murray, C. W.; Amos, R. D. J. Am. Chem. Soc. 1992, 114, 8268-8276.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 8268-8276
- Price, S.L.¹ Andrews, J.S.² Murray, C.W.³ Amos, R.D.⁴

48
- 84986525750
- Roszak, S.; Sokalski, W. A.; Kaufman, J. J. J. Comput. Chem. 1992, 13, 944-951.
- (1992) J. Comput. Chem. , vol.13 , pp. 944-951
- Roszak, S.¹ Sokalski, W.A.² Kaufman, J.J.³

49
- 0027013007
- Cramer, C. J.; Truhlar, D. G. J Comut.-Aided Mol. Des. 1992, 6, 629-666.
- (1992) J Comut.-Aided Mol. Des. , vol.6 , pp. 629-666
- Cramer, C.J.¹ Truhlar, D.G.²

50
- 4043151628
- Cramer, C. J.; Truhlar, D. G. University of Minnesota Supercomputer Institute Research Report UMSI 92/166, 1992.
- (1992) University of Minnesota Supercomputer Institute Research Report UMSI 92/166
- Cramer, C.J.¹ Truhlar, D.G.²

51
- 36449005194
- Vegiri, A.; Farantos, S. C. J. Chem. Phys. 1993, 98, 4059-4075.
- (1993) J. Chem. Phys. , vol.98 , pp. 4059-4075
- Vegiri, A.¹ Farantos, S.C.²

52
- 33749844281
- Howard, A. E.; Singh, U. C.; Billeter, M.; Kollman, P. A. J. Am. Chem. Soc. 1988, 110, 6984-6991.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 6984-6991
- Howard, A.E.¹ Singh, U.C.² Billeter, M.³ Kollman, P.A.⁴

53
- 0000644658
- Ruocco, G.; Sampoli, M. Mol. Phys. 1994, 82, 875-886.
- (1994) Mol. Phys. , vol.82 , pp. 875-886
- Ruocco, G.¹ Sampoli, M.²

54
- 0000218559
- Sprik, M. J. Phys. Chem. 1991, 95, 2283-2291.
- (1991) J. Phys. Chem. , vol.95 , pp. 2283-2291
- Sprik, M.¹

55
- 0000209875
- Vanbelle, D.; Wodak, S. J. Am. Chem. Soc. 1993, 115, 647-652.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 647-652
- Vanbelle, D.¹ Wodak, S.²

56
- 84987142144
- Lister, S. G.; Reynolds, C. A.; Richards, W. G. Int. J. Quantum Chem. 1992, 41, 293-310.
- (1992) Int. J. Quantum Chem. , vol.41 , pp. 293-310
- Lister, S.G.¹ Reynolds, C.A.² Richards, W.G.³

57
- 84962459967
- Gao, J. L.; Luque, F. J.; Orozco, M. J. Chem. Phys. 1993, 98, 2975-2982.
- (1993) J. Chem. Phys. , vol.98 , pp. 2975-2982
- Gao, J.L.¹ Luque, F.J.² Orozco, M.³

58
- 0000812183
- Jorgensen, W. J. J. Phys. Chem. 1983, 87, 5304-5314.
- (1983) J. Phys. Chem. , vol.87 , pp. 5304-5314
- Jorgensen, W.J.¹

59
- 0029402708
- Thompson, M. A. J. Am. Chem. Soc. 1995, 117, 11341-11344.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 11341-11344
- Thompson, M.A.¹

60
- 0029274588
- Thomson, M. A. J. Phys. Chem. 1995, 99, 4794-4804.
- (1995) J. Phys. Chem. , vol.99 , pp. 4794-4804
- Thomson, M.A.¹

61
- 0242395926
- Thompson, M. A.; Glendening, E. D.; Feller, D. J. Phys. Chem. 1994, 98, 10465-10476.
- (1994) J. Phys. Chem. , vol.98 , pp. 10465-10476
- Thompson, M.A.¹ Glendening, E.D.² Feller, D.³

62
- 84962440813
- Luque, F. J.; Bofill, J. M.; Orozco, M. J. Chem. Phys. 1995, 103, 10183-10191.
- (1995) J. Chem. Phys. , vol.103 , pp. 10183-10191
- Luque, F.J.¹ Bofill, J.M.² Orozco, M.³

63
- 0001344543
- Parchment, O. G.; Green, D. V. S.; Taylor, P. J.; Hillier, I. H. J. Am. Chem Soc. 1993, 115, 2352-2356.
- (1993) J. Am. Chem Soc. , vol.115 , pp. 2352-2356
- Parchment, O.G.¹ Green, D.V.S.² Taylor, P.J.³ Hillier, I.H.⁴

64
- 0002928871
- Clarendon Press: Oxford, United Kingdom
- Bader, R. F. W. Atoms in Molecules. A Quantum Theory. Clarendon Press: Oxford, United Kingdom, 1990. Bader, R. F. W. Acc. Chem. Res. 1985, 18, 9-15.
- (1990) Atoms in Molecules. A Quantum Theory
- Bader, R.F.W.¹

65
- 0002928871
- Bader, R. F. W. Atoms in Molecules. A Quantum Theory. Clarendon Press: Oxford, United Kingdom, 1990. Bader, R. F. W. Acc. Chem. Res. 1985, 18, 9-15.
- (1985) Acc. Chem. Res. , vol.18 , pp. 9-15
- Bader, R.F.W.¹

66
- 0001553329
- Hirshfeld, F. L. Theor. Chim. Acta 1977, 44, 129. Cf.: Ritchie, J. P. J. Am. Chem. Soc. 1985, 107, 1829-1837. Ritchie, J. P.; Bachrach, S. M. J. Comput. Chem. 1987, 8, 499-509.
- (1977) Theor. Chim. Acta , vol.44 , pp. 129
- Hirshfeld, F.L.¹

67
- 0000555577
- Hirshfeld, F. L. Theor. Chim. Acta 1977, 44, 129. Cf.: Ritchie, J. P. J. Am. Chem. Soc. 1985, 107, 1829-1837. Ritchie, J. P.; Bachrach, S. M. J. Comput. Chem. 1987, 8, 499-509.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 1829-1837
- Ritchie, J.P.¹

68
- 84988090395
- Hirshfeld, F. L. Theor. Chim. Acta 1977, 44, 129. Cf.: Ritchie, J. P. J. Am. Chem. Soc. 1985, 107, 1829-1837. Ritchie, J. P.; Bachrach, S. M. J. Comput. Chem. 1987, 8, 499-509.
- (1987) J. Comput. Chem. , vol.8 , pp. 499-509
- Ritchie, J.P.¹ Bachrach, S.M.²

69
- 0000282527
- Sokalski, W. A.; Roszak, S. M. J. Mol. Struct. (THEOCHEM) 1991, 234, 387-400. Sokalski, W. A.; Lowrey, A. H.; Roszak, S.; Lewchenko, V,; Blaisdell, J.; Hariharan, P. C.; Kaufman, J. J. J. Comput. Chem. 1986, 7, 693-700.
- (1991) J. Mol. Struct. (THEOCHEM) , vol.234 , pp. 387-400
- Sokalski, W.A.¹ Roszak, S.M.²

70
- 84988112902
- Sokalski, W. A.; Roszak, S. M. J. Mol. Struct. (THEOCHEM) 1991, 234, 387-400. Sokalski, W. A.; Lowrey, A. H.; Roszak, S.; Lewchenko, V,; Blaisdell, J.; Hariharan, P. C.; Kaufman, J. J. J. Comput. Chem. 1986, 7, 693-700.
- (1986) J. Comput. Chem. , vol.7 , pp. 693-700
- Sokalski, W.A.¹ Lowrey, A.H.² Roszak, S.³ Lewchenko, V.⁴ Blaisdell, J.⁵ Hariharan, P.C.⁶ Kaufman, J.J.⁷

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.