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Volumn 13, Issue 24, 2011, Pages 11731-11738

A combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals: Implementation for electronic excited states

(4) Kawashima, Yukio a Nakano, Haruyuki a Jung, Jaewoon b Ten Nod, Seiichiro c

a KYUSHU UNIVERSITY (Japan)

b RIKEN (Japan)

c KOBE UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79959476725 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/c1cp20438f Document Type: Article

Times cited : (10)

References (82)

1
- 0017100947
- A. Warshel and M. J. Levitt, J. Mol. Biol., 1976, 103, 227.
- (1976) J. Mol. Biol. , vol.103 , pp. 227
- Warshel, A.¹ Levitt, M.J.²

2
- 0036025446
- J. Gao and D. G. Truhlar, Annu. Rev. Phys. Chem., 2002, 53, 467.
- (2002) Annu. Rev. Phys. Chem. , vol.53 , pp. 467
- Gao, J.¹ Truhlar, D.G.²

3
- 0041876227
- A. Warshel, Annu. Rev. Biophys. Biomol. Struct., 2003, 32, 425.
- (2003) Annu. Rev. Biophys. Biomol. Struct. , vol.32 , pp. 425
- Warshel, A.¹

4
- 0037115887
- D. Das, K. P. Eurenius, E. M. Billings, P. Sherwood, D. C. Chatfield, M. Hodoŝĉek and B. R. Brooks, J. Chem. Phys., 2002, 117, 10534.
- (2002) J. Chem. Phys. , vol.117 , pp. 10534
- Das, D.¹ Eurenius, K.P.² Billings, E.M.³ Sherwood, P.⁴ Chatfield, D.C.⁵ Hodoŝĉek, M.⁶ Brooks, B.R.⁷

5
- 19944408652
- P.H.König, M. Hoffman, Th. Frauen and Q. Cui, J. Phys. Chem. B, 2005, 109, 9082.
- (2005) J. Phys. Chem. B , vol.109 , pp. 9082
- König, P.H.¹ Hoffman, M.² Frauen, Th.³ Cui, Q.⁴

6
- 60349127442
- H. M. Senn and W. Thiel, Angew. Chem., Int. Ed., 2009, 48, 1198.
- (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 1198
- Senn, H.M.¹ Thiel, W.²

7
- 84988053595
- U. C. Singh and P. A. Kollman, J. Comput. Chem., 1986, 7, 718.
- (1986) J. Comput. Chem. , vol.7 , pp. 718
- Singh, U.C.¹ Kollman, P.A.²

8
- 0000049872
- K. P. Eurenius, D. C. Chatfield, B. R. Brooks and M. Hodoscek, Int. J. Quantum Chem., 1996, 60, 1189.
- (1996) Int. J. Quantum Chem. , vol.60 , pp. 1189
- Eurenius, K.P.¹ Chatfield, D.C.² Brooks, B.R.³ Hodoscek, M.⁴

9
- 84986513644
- M. J. Field, P. A. Bash and M. Karplus, J. Comput. Chem., 1990, 11, 700.
- (1990) J. Comput. Chem. , vol.11 , pp. 700
- Field, M.J.¹ Bash, P.A.² Karplus, M.³

10
- 11644294259
- J. Bentzien, R. P. Muller, J. Florián and A. Warshel, J. Phys. Chem. B, 1998, 102, 2293.
- (1998) J. Phys. Chem. B , vol.102 , pp. 2293
- Bentzien, J.¹ Muller, R.P.² Florián, J.³ Warshel, A.⁴

11
- 0000218385
- P. D. Lyne, M. Hodoscek and M. Karplus, J. Phys. Chem. A, 1999, 103, 3462.
- (1999) J. Phys. Chem. A , vol.103 , pp. 3462
- Lyne, P.D.¹ Hodoscek, M.² Karplus, M.³

12
- 0000928098
- M. Eichinger, P. Tavan, J. Hutter and M. Parrinello, J. Chem. Phys., 1999, 110, 10452.
- (1999) J. Chem. Phys. , vol.110 , pp. 10452
- Eichinger, M.¹ Tavan, P.² Hutter, J.³ Parrinello, M.⁴

13
- 84986527758
- F. Maseras and K. Morokuma, J. Comput. Chem., 1995, 16, 1170.
- (1995) J. Comput. Chem. , vol.16 , pp. 1170
- Maseras, F.¹ Morokuma, K.²

14
- 31144441067
- M. Svensson, S. Humbel, R. D. J. Froese, T. Matsubara, S. Sieber and K. Morokuma, J. Phys. Chem., 1996, 100, 19357.
- (1996) J. Phys. Chem. , vol.100 , pp. 19357
- Svensson, M.¹ Humbel, S.² Froese, R.D.J.³ Matsubara, T.⁴ Sieber, S.⁵ Morokuma, K.⁶

15
- 0037473497
- T. Vreven, K. Morokuma, Ö. Farkas, H. B. Schlegel and M. J. Frisch, J. Comput. Chem., 2003, 24, 760.
- (2003) J. Comput. Chem. , vol.24 , pp. 760
- Vreven, T.¹ Morokuma, K.² Farkas, Ö.³ Schlegel, H.B.⁴ Frisch, M.J.⁵

16
- 0000928098
- M. Eichinger, P. Tavan, J. Hutter and M. Parrinello, J. Chem. Phys., 1999, 110, 10452.
- (1999) J. Chem. Phys. , vol.110 , pp. 10452
- Eichinger, M.¹ Tavan, P.² Hutter, J.³ Parrinello, M.⁴

17
- 0001582558
- Y. Zhang, T. Lee and W. Yang, J. Chem. Phys., 1999, 110, 46.
- (1999) J. Chem. Phys. , vol.110 , pp. 46
- Zhang, Y.¹ Lee, T.² Yang, W.³

18
- 22944472113
- Y. Zhang, J. Chem. Phys., 2005, 122, 24114.
- (2005) J. Chem. Phys. , vol.122 , pp. 24114
- Zhang, Y.¹

19
- 33748263629
- Y. Zhang, Theor. Chem. Acc., 2006, 116, 43.
- (2006) Theor. Chem. Acc. , vol.116 , pp. 43
- Zhang, Y.¹

20
- 0000473603
- I. Antes and W. Thiel, J. Phys. Chem. A, 1999, 103, 9290.
- (1999) J. Phys. Chem. A , vol.103 , pp. 9290
- Antes, I.¹ Thiel, W.²

21
- 0037042635
- G. A. DiLabio, M. M. Hurley and P. A. Christiansen, J. Chem. Phys., 2002, 116, 9578.
- (2002) J. Chem. Phys. , vol.116 , pp. 9578
- Dilabio, G.A.¹ Hurley, M.M.² Christiansen, P.A.³

22
- 84986492373
- V. Théry, D. Rinaldi, J. Rivail, B. Maigret and G. G. Ferenczy, J. Comput. Chem., 1994, 15, 269.
- (1994) J. Comput. Chem. , vol.15 , pp. 269
- Théry, V.¹ Rinaldi, D.² Rivail, J.³ Maigret, B.⁴ Ferenczy, G.G.⁵

23
- 0002083815
- G. Monard, M. Loos, V. Thé ry, K. Baka and J. Rivail, Int. J. Quantum Chem., 1996, 58, 153.
- (1996) Int. J. Quantum Chem. , vol.58 , pp. 153
- Monard, G.¹ Loos, M.² Théry, V.³ Baka, K.⁴ Rivail, J.⁵

24
- 0030573150
- X. Assfeld and J. Rivail, Chem. Phys. Lett., 1996, 263, 100.
- (1996) Chem. Phys. Lett. , vol.263 , pp. 100
- Assfeld, X.¹ Rivail, J.²

25
- 0037197652
- N. Ferre, X. Assfeld and J. Rivail, J. Comput. Chem., 2002, 23, 610.
- (2002) J. Comput. Chem. , vol.23 , pp. 610
- Ferre, N.¹ Assfeld, X.² Rivail, J.³

26
- 0001420061
- D. M. Philipp and R. A. Friesner, J. Comput. Chem., 1999, 20, 1468.
- (1999) J. Comput. Chem. , vol.20 , pp. 1468
- Philipp, D.M.¹ Friesner, R.A.²

27
- 0001664118
- R. B. Murphy, D. M. Philipp and R. A. Friesner, J. Comput. Chem., 2000, 21, 1442.
- (2000) J. Comput. Chem. , vol.21 , pp. 1442
- Murphy, R.B.¹ Philipp, D.M.² Friesner, R.A.³

28
- 0000411659
- J. Gao, P. Amara, C. Alhambra and M. J. Field, J. Phys. Chem. A, 1998, 102, 4714.
- (1998) J. Phys. Chem. A , vol.102 , pp. 4714
- Gao, J.¹ Amara, P.² Alhambra, C.³ Field, M.J.⁴

29
- 0034375393
- J. Gao, P. Amara, C. Alhambra and M. J. Field, Theor. Chem. Acc., 2000, 104, 336.
- (2000) Theor. Chem. Acc. , vol.104 , pp. 336
- Gao, J.¹ Amara, P.² Alhambra, C.³ Field, M.J.⁴

30
- 0442279531
- J. Pu, J. Gao and D. G. Truhlar, J. Phys. Chem. A, 2004, 108, 632.
- (2004) J. Phys. Chem. A , vol.108 , pp. 632
- Pu, J.¹ Gao, J.² Truhlar, D.G.³

31
- 24944450993
- J. Pu, J. Gao and D. G. Truhlar, ChemPhysChem, 2005, 6, 1853.
- (2005) ChemPhysChem , vol.6 , pp. 1853
- Pu, J.¹ Gao, J.² Truhlar, D.G.³

32
- 36348953683
- J. Jung, C. H. Choi, Y. Sugita and S. Ten-no, J. Chem. Phys., 2007, 127, 204102.
- (2007) J. Chem. Phys. , vol.127 , pp. 204102
- Jung, J.¹ Choi, C.H.² Sugita, Y.³ Ten-No, S.⁴

33
- 72649096892
- J. Jung and S. Ten-no, Chem. Phys. Lett., 2010, 484, 344.
- (2010) Chem. Phys. Lett. , vol.484 , pp. 344
- Jung, J.¹ Ten-No, S.²

34
- 77749327709
- J. Jung, Y. Sugita and S. Ten-no, J. Chem. Phys., 2010, 132, 084106.
- (2010) J. Chem. Phys. , vol.132 , pp. 084106
- Jung, J.¹ Sugita, Y.² Ten-No, S.³

35
- 0038924893
- O. Christiansen, P. Jorgensen and C. Hättig, Int. J. Quantum Chem., 1998, 68, 1.
- (1998) Int. J. Quantum Chem. , vol.68 , pp. 1
- Christiansen, O.¹ Jorgensen, P.² Hättig, C.³

36
- 10844225583
- O. Christiansen, H. Koch and P. Jørgensen, Chem. Phys. Lett., 1995, 243, 409.
- (1995) Chem. Phys. Lett. , vol.243 , pp. 409
- Christiansen, O.¹ Koch, H.² Jørgensen, P.³

37
- 0000119849
- O. Christiansen, A. Halkier, H. Koch, P. Jørgensen and T. Helgaker, J. Chem. Phys., 1998, 108, 2801.
- (1998) J. Chem. Phys. , vol.108 , pp. 2801
- Christiansen, O.¹ Halkier, A.² Koch, H.³ Jørgensen, P.⁴ Helgaker, T.⁵

38
- 0030582814
- O. Christiansen, H. Koch, P. Jørgensen and T. Helgaker, Chem. Phys. Lett., 1998, 263, 530.
- (1998) Chem. Phys. Lett. , vol.263 , pp. 530
- Christiansen, O.¹ Koch, H.² Jørgensen, P.³ Helgaker, T.⁴

39
- 0037054682
- J. Kongsted, A. Osted, K. V. Mikkelsen and O. Christiansen, Mol. Phys., 2002, 100, 1813.
- (2002) Mol. Phys. , vol.100 , pp. 1813
- Kongsted, J.¹ Osted, A.² Mikkelsen, K.V.³ Christiansen, O.⁴

40
- 84962450004
- A. Osted, J. Kongsted, K. V. Mikkelsen and O. Christiansen, Mol. Phys., 2003, 101, 2055.
- (2003) Mol. Phys. , vol.101 , pp. 2055
- Osted, A.¹ Kongsted, J.² Mikkelsen, K.V.³ Christiansen, O.⁴

41
- 0037431236
- J. Kongsted, A. Osted, K. V. Mikkelsen and O. Christiansen, J. Phys. Chem. A, 2003, 107, 2578.
- (2003) J. Phys. Chem. A , vol.107 , pp. 2578
- Kongsted, J.¹ Osted, A.² Mikkelsen, K.V.³ Christiansen, O.⁴

42
- 0037020056
- J. Kongsted, A. Osted, K. V. Mikkelsen and O. Christiansen, Chem. Phys. Lett., 2002, 364, 379.
- (2002) Chem. Phys. Lett. , vol.364 , pp. 379
- Kongsted, J.¹ Osted, A.² Mikkelsen, K.V.³ Christiansen, O.⁴

43
- 0037460275
- J.Kongsted,A. Osted, K.V. Mikkelsen and O. Christiansen, J. Chem. Phys., 2002, 118, 1620.
- (2002) J. Chem. Phys. , vol.118 , pp. 1620
- Osted, J.KongstedA.¹ Mikkelsen, K.V.² Christiansen, O.³

44
- 0347577922
- J. Kongsted, A. Osted, K. V. Mikkelsen and O. Christiansen, J. Chem. Phys., 2003, 119, 10519.
- (2003) J. Chem. Phys. , vol.119 , pp. 10519
- Kongsted, J.¹ Osted, A.² Mikkelsen, K.V.³ Christiansen, O.⁴

45
- 1642632813
- J.Kongsted,A. Osted, K.V. Mikkelsen and O. Christiansen, J. Chem. Phys., 2004, 120, 3787.
- (2004) J. Chem. Phys. , vol.120 , pp. 3787
- Osted, J.KongstedA.¹ Mikkelsen, K.V.² Christiansen, O.³

46
- 0242391108
- J. Kongsted, A. Osted, K. V. Mikkelsen and O. Christiansen, THEOCHEM, 2003, 632, 207.
- (2003) THEOCHEM , vol.632 , pp. 207
- Kongsted, J.¹ Osted, A.² Mikkelsen, K.V.³ Christiansen, O.⁴

47
- 84962359441
- J. Kongsted, T. B. Pedersen, A. Osted, A. E. Hansen, K. V. Mikkelsen and O. Christiansen, J. Phys. Chem. A, 2004, 108, 3632.
- (2004) J. Phys. Chem. A , vol.108 , pp. 3632
- Kongsted, J.¹ Pedersen, T.B.² Osted, A.³ Hansen, A.E.⁴ Mikkelsen, K.V.⁵ Christiansen, O.⁶

48
- 7044237445
- J. Kongsted, A. Osted, T. B. Pedersen, K. V. Mikkelsen and O. Christiansen, J. Phys. Chem. A, 2004, 108, 86242.
- (2004) J. Phys. Chem. A , vol.108 , pp. 86242
- Kongsted, J.¹ Osted, A.² Pedersen, T.B.³ Mikkelsen, K.V.⁴ Christiansen, O.⁵

49
- 9744232159
- J. Kongsted, A. Osted, P. O. Astrand, K. V. Mikkelsen and O. Christiansen, J. Chem. Phys., 2004, 121, 8435.
- (2004) J. Chem. Phys. , vol.121 , pp. 8435
- Kongsted, J.¹ Osted, A.² Astrand, P.O.³ Mikkelsen, K.V.⁴ Christiansen, O.⁵

50
- 33845402746
- M. Valiev and K. Kowalski, J. Chem. Phys., 2006, 125, 211101.
- (2006) J. Chem. Phys. , vol.125 , pp. 211101
- Valiev, M.¹ Kowalski, K.²

51
- 0000344666
- K. Sasagane, F. Aiga and R. Itoh, J. Chem. Phys., 1993, 99, 3738.
- (1993) J. Chem. Phys. , vol.99 , pp. 3738
- Sasagane, K.¹ Aiga, F.² Itoh, R.³

52
- 79959488513
- GELLAN, a hierarchical quantum chemistry program, Kobe University
- GELLAN, a hierarchical quantum chemistry program, Kobe University, 2010.
- (2010)

53
- 78651269054
- T. Rocha-Rinza, K. Sneskov, O. Christiansen, U. Ryde and J. Kongsted, Phys. Chem. Chem. Phys., 2011, 13, 1585.
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 1585
- Rocha-Rinza, T.¹ Sneskov, K.² Christiansen, O.³ Ryde, U.⁴ Kongsted, J.⁵

54
- 0025929570
- M. R. Eftink, Methods Biochem. Anal., 1991, 35, 127.
- (1991) Methods Biochem. Anal. , vol.35 , pp. 127
- Eftink, M.R.¹

55
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007.
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning Jr., T.H.¹

56
- 0041784950
- D. MacKerell, Jr., D. Bashford, M. Bellott, R. L. Dunbrack, Jr., J. D. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W. E. Reiher III, B. Roux, M. Schlenkrich, J. C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wió rkiewicz-Kuczera, D. Yin and M. Karplus, J. Phys. Chem. B, 1998, 102, 3586.
- (1998) J. Phys. Chem. B , vol.102 , pp. 3586
- MacKerell Jr., D.¹ Bashford, D.² Bellott, M.³ Dunbrack Jr., R.L.⁴ Evanseck, J.D.⁵ Field, M.J.⁶ Fischer, S.⁷ Gao, J.⁸ Guo, H.⁹ Ha, S.¹⁰ Joseph-Mccarthy, D.¹¹ Kuchnir, L.¹² Kuczera, K.¹³ Lau, F.T.K.¹⁴ Mattos, C.¹⁵ Michnick, S.¹⁶ Ngo, T.¹⁷ Nguyen, D.T.¹⁸ Prodhom, B.¹⁹ Iii Reiher, W.E.²⁰ more..

57
- 67650558670
- S. Shim, J. Dasgupta and R. A. Mathies, J. Am. Chem. Soc., 2009, 131, 7592.
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 7592
- Shim, S.¹ Dasgupta, J.² Mathies, R.A.³

58
- 0034632864
- S. Subramaniam and R. Henderson, Nature, 2000, 406, 653.
- (2000) Nature , vol.406 , pp. 653
- Subramaniam, S.¹ Henderson, R.²

59
- 0025829307
- R. A. Mathies, S. W. Lin, J. B. Ames and W. Pollard, Annu. Rev. Biophys., 1991, 20, 491.
- (1991) Annu. Rev. Biophys. , vol.20 , pp. 491
- Mathies, R.A.¹ Lin, S.W.² Ames, J.B.³ Pollard, W.⁴

60
- 36549094506
- R. R. Birge and C. F. Zhang, J. Chem. Phys., 1990, 92, 7178.
- (1990) J. Chem. Phys. , vol.92 , pp. 7178
- Birge, R.R.¹ Zhang, C.F.²

61
- 0000562142
- N. Hampp, Chem. Rev., 2000, 100, 1755.
- (2000) Chem. Rev. , vol.100 , pp. 1755
- Hampp, N.¹

62
- 34848877217
- K. Fujimoto, S. Hayashi, J. Hasegawa and H. Nakatsuji, J. Chem. Theory Comput., 2007, 3, 605.
- (2007) J. Chem. Theory Comput. , vol.3 , pp. 605
- Fujimoto, K.¹ Hayashi, S.² Hasegawa, J.³ Nakatsuji, H.⁴

63
- 0034321020
- S. Hayashi and I. Ohmine, J. Phys. Chem. B, 2000, 104, 10678.
- (2000) J. Phys. Chem. B , vol.104 , pp. 10678
- Hayashi, S.¹ Ohmine, I.²

64
- 0035909727
- S. Hayashi, E. Tajkhorshid, E. Pebay-Peyroula, A. Royant, E. M. Landau, J. Navarro and K. Schulten, J. Phys. Chem. B, 2001, 105, 10124.
- (2001) J. Phys. Chem. B , vol.105 , pp. 10124
- Hayashi, S.¹ Tajkhorshid, E.² Pebay-Peyroula, E.³ Royant, A.⁴ Landau, E.M.⁵ Navarro, J.⁶ Schulten, K.⁷

65
- 14844348202
- M. Wanko, M. Hoffmann, P. Strodel, A. Koslowski, W. Thiel, F. Neese, T. Frauenheim and M. Elstner, J. Phys. Chem. B, 2005, 109, 3606.
- (2005) J. Phys. Chem. B , vol.109 , pp. 3606
- Wanko, M.¹ Hoffmann, M.² Strodel, P.³ Koslowski, A.⁴ Thiel, W.⁵ Neese, F.⁶ Frauenheim, T.⁷ Elstner, M.⁸

66
- 0033609904
- H. Luecke, B. Schobert, H. T. Richter, J. P. Cartailler and J. K. Lanyi, J. Mol. Biol., 1999, 291, 899.
- (1999) J. Mol. Biol. , vol.291 , pp. 899
- Luecke, H.¹ Schobert, B.² Richter, H.T.³ Cartailler, J.P.⁴ Lanyi, J.K.⁵

67
- 67650500988
- B. R. Brooks, C. L. Brooks III, A. D. MacKerell, L. Nilsson, R. J. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch, A. Caflisch, L. Caves, Q. Cui, A. R. Dinner, M. Feig, S. Fischer, J. Gao, M. Hodoscek, W. Im, K. Kuczera, T. Lazaridis, J. Ma, V. Ovchinnikov, E. Paci, R. W. Pastor, C. B. Post, J. Z. Pu, M. Schaefer, B. Tidor, R. M. Venable, H. L. Woodcock, X. Wu, W. Yang, D. M. York and M. Karplus, J. Comput. Chem., 2009, 30, 1545.
- (2009) J. Comput. Chem. , vol.30 , pp. 1545
- Brooks, B.R.¹ Brooks Iii, C.L.² MacKerell, A.D.³ Nilsson, L.⁴ Petrella, R.J.⁵ Roux, B.⁶ Won, Y.⁷ Archontis, G.⁸ Bartels, C.⁹ Boresch, S.¹⁰ Caflisch, A.¹¹ Caves, L.¹² Cui, Q.¹³ Dinner, A.R.¹⁴ Feig, M.¹⁵ Fischer, S.¹⁶ Gao, J.¹⁷ Hodoscek, M.¹⁸ Im, W.¹⁹ Kuczera, K.²⁰ more..

68
- 27344436659
- J. C. Phillips, R. Braun, W. Wang, J. Gumbart, E. Tajkhorshid, E. Villa, C. Chipot, R. D. Skeel, L. Kale and K. Schulten, J. Comput. Chem., 2005, 26, 1781.
- (2005) J. Comput. Chem. , vol.26 , pp. 1781
- Phillips, J.C.¹ Braun, R.² Wang, W.³ Gumbart, J.⁴ Tajkhorshid, E.⁵ Villa, E.⁶ Chipot, C.⁷ Skeel, R.D.⁸ Kale, L.⁹ Schulten, K.¹⁰

69
- 0000189651
- A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

70
- 4243553426
- A. D. Becke, Phys. Rev. A: At., Mol., Opt. Phys., 1988, 38, 3098.
- (1988) Phys. Rev. A: At., Mol., Opt. Phys. , vol.38 , pp. 3098
- Becke, A.D.¹

71
- 0345491105
- C. Lee, W. Yang and R. G. Parr, Phys. Rev. B: Condens. Matter, 1988, 37, 785.
- (1988) Phys. Rev. B: Condens. Matter , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

72
- 11744283687
- W. J. Hehre, R. F. Stewart and J. A. Pople, J. Chem. Phys., 1969, 51, 2657.
- (1969) J. Chem. Phys. , vol.51 , pp. 2657
- Hehre, W.J.¹ Stewart, R.F.² Pople, J.A.³

73
- 0029912748
- W. L. Jørgensen, D. S. Maxwell and J. Tirado-Rives, J. Am. Chem. Soc., 1996, 118, 11225.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 11225
- Jørgensen, W.L.¹ Maxwell, D.S.² Tirado-Rives, J.³

74
- 0031549614
- E. Tajkhorshid, B. Paizs and S. Suhai, J. Phys. Chem., 1997, 101, 8021.
- (1997) J. Phys. Chem. , vol.101 , pp. 8021
- Tajkhorshid, E.¹ Paizs, B.² Suhai, S.³

75
- 0000543569
- E. Tajkhorshid and S. Suhai, J. Phys. Chem., 1999, 193, 5581.
- (1999) J. Phys. Chem. , vol.193 , pp. 5581
- Tajkhorshid, E.¹ Suhai, S.²

76
- 0034128699
- E. Tajkhorshid, J. Baudry, K. Schulten and S. Suhai, Biophys. J., 2000, 78, 683.
- (2000) Biophys. J. , vol.78 , pp. 683
- Tajkhorshid, E.¹ Baudry, J.² Schulten, K.³ Suhai, S.⁴

77
- 0028835990
- M. Nina, B. Roux and J. C. Smith, Biophys. J., 1995, 68, 25.
- (1995) Biophys. J. , vol.68 , pp. 25
- Nina, M.¹ Roux, B.² Smith, J.C.³

78
- 0343155178
- J. Baudry, S. Crouzy, B. Roux and J. C. Smith, J. Chem. Inf. Comput. Sci., 1997, 37, 1018.
- (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 1018
- Baudry, J.¹ Crouzy, S.² Roux, B.³ Smith, J.C.⁴

79
- 33746563448
- Y. Shao, L. Fusti-Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T. B. Gilbert, L. V. Slipchenko, S. V. Levchenko, D. P. ONeill, R. A. Distasio Jr., R. C. Lochan, T. Wang, G. J. O. Beran, N. A. Besley, J. M. Herbert, C. Y. Lin, T. Van Voorhis, S. H. Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. Austin, J. Baker, E. F. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S. R. Gwaltney, A. Heyden, S. Hirata, C.-P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W. Liang, I. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. M. Rhee, J. Ritchie, E. Rosta, C. D. Sherrill, A. C. Simmonett, J. E. Subotnik, H. L. Woodcock III, W. Zhang, A. T. Bell, A. K. Chakraborty, D. M. Chipman, F. J. Keil, A. Warshel, W. J. Hehre, H. F. Schaefer III, J. Kong, A. I. Krylov, P. M. W. Gill and M. Head-Gordon, Phys. Chem. Chem. Phys., 2006, 8, 3172.
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 3172
- Shao, Y.¹ Fusti-Molnar, L.² Jung, Y.³ Kussmann, J.⁴ Ochsenfeld, C.⁵ Brown, S.T.⁶ Gilbert, A.T.B.⁷ Slipchenko, L.V.⁸ Levchenko, S.V.⁹ Oneill, D.P.¹⁰ Distasio Jr. R., A.¹¹ Lochan, R.C.¹² Wang, T.¹³ Beran, G.J.O.¹⁴ Besley, N.A.¹⁵ Herbert, J.M.¹⁶ Lin, C.Y.¹⁷ Van Voorhis, T.¹⁸ Chien, S.H.¹⁹ Sodt, A.²⁰ more..

80
- 32644460838
- I. B. Nielsen, L. Lammich and L. H. Andersen, Phys. Rev. Lett., 2006, 96, 018304.
- (2006) Phys. Rev. Lett. , vol.96 , pp. 018304
- Nielsen, I.B.¹ Lammich, L.² Andersen, L.H.³

81
- 23544444889
- S. Ten-no, F. Hirata and S. Kato, Chem. Phys. Lett., 1993, 214, 391.
- (1993) Chem. Phys. Lett. , vol.214 , pp. 391
- Ten-No, S.¹ Hirata, F.² Kato, S.³

82
- 36449005091
- S. Ten-no, F. Hirata and S. Kato, J. Chem. Phys., 1994, 100, 7443.
- (1994) J. Chem. Phys. , vol.100 , pp. 7443
- Ten-No, S.¹ Hirata, F.² Kato, S.³

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