SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 115, Issue 20, 2001, Pages 9209-9222

Quantum-mechanical reaction rate constants from centroid molecular dynamics simulations

(3) Geva, Eitan a Shi, Qiang a Voth, Gregory A b

a UNIVERSITY OF MICHIGAN (United States)

b UNIVERSITY OF UTAH (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; GRAPH THEORY; HAMILTONIANS; MATHEMATICAL MODELS; MATHEMATICAL TRANSFORMATIONS; MOLECULAR DYNAMICS; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS; STATISTICAL MECHANICS;

CENTROID MOLECULAR DYNAMICS SIMULATION; LINEAR RESPONSE THEORY; QUANTUM MECHANICAL REACTION RATE CONSTANT; QUANTUM TRANSITION STATE THEORY;

QUANTUM THEORY;

EID: 0035935794 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1412870 Document Type: Article

Times cited : (92)

References (69)

1
- 0347193736
- (1990) Rev. Mod. Phys. , vol.62 , pp. 251
- Hänggi, P.¹ Talkner, P.² Borkovec, M.³

2
- 0041290286
- (1989) J. Chem. Phys. , vol.91 , pp. 7749
- Voth, G.A.¹ Chandler, D.² Miller, W.H.³

3
- 0001059029
- (1990) Chem. Phys. Lett. , vol.170 , pp. 289
- Voth, G.A.¹

4
- 0001629435
- (1993) J. Phys. Chem. , vol.97 , pp. 8365
- Voth, G.A.¹

5
- 0642311214
- (1996) Adv. Chem. Phys. , vol.93 , pp. 135
- Voth, G.A.¹

6
- 0040658732
- (2000) J. Chem. Phys. , vol.112 , pp. 8747
- Jang, S.¹ Voth, G.A.²

7
- 4243272162
- (1987) Phys. Rev. Lett. , vol.58 , pp. 563
- Gillan, M.J.¹

8
- 0001053428
- (1987) J. Phys. C , vol.20 , pp. 3621
- Gillan, M.J.¹

9
- 0003495236
- (McGraw-Hill, New York)
- (1965) Quantum Mechanics and Path Integrals
- Feynman, R.P.¹ Hibbs, A.R.²

10
- 0003575440
- (Benjamin, New York)
- (1972) Statistical Mechanics
- Feynman, R.P.¹

11
- 0000797345
- (1986) Annu. Rev. Phys. Chem. , vol.37 , pp. 401
- Berne, B.J.¹ Thirumalai, D.²

12
- 11944260941
- (1995) Rev. Mod. Phys. , vol.67 , pp. 279
- Ceperley, D.M.¹

13
- 0004067962
- (Plenum, New York)
- (1976) Dynamics of Molecular Collisions, Part 2 , pp. 269
- Pechukas, P.¹

14
- 0001222359
- (1960) J. Chem. Phys. , vol.33 , pp. 281
- Yamamoto, T.¹

15
- 36749118190
- (1974) J. Chem. Phys. , vol.61 , pp. 1823
- Miller, W.H.¹

16
- 0343791207
- (1983) J. Chem. Phys. , vol.79 , pp. 4889
- Miller, W.H.¹ Schwartz, S.D.² Tromp, J.W.³

17
- 36449000988
- (1994) J. Chem. Phys. , vol.101 , pp. 7500
- Topaler, M.¹ Makri, N.²

18
- 0032503752
- (1998) Chem. Phys. Lett. , vol.291 , pp. 101
- Makri, N.¹ Thompson, K.²

19
- 4444269588
- (1963) Ann. Phys. , vol.24 , pp. 118
- Feynman, R.P.¹ Vernon F.L., Jr.²

20
- 0004258941
- (World Scientific, London)
- (1993) Quantum Dissipative Systems
- Weiss, U.¹

21
- 0001229476
- (1998) J. Phys. Chem. A , vol.102 , pp. 4414
- Makri, N.¹

22
- 0002410596
- (1998) Faraday Discuss. , vol.110 , pp. 1
- Miller, W.H.¹

23
- 0032094712
- (1998) J. Chem. Phys. , vol.108 , pp. 9726
- Wang, H.¹ Sun, X.² Miller, W.H.³

24
- 0001394688
- (1999) J. Phys. Chem. A , vol.103 , pp. 7753
- Shao, J.S.¹ Makri, N.²

25
- 0000141521
- (1999) Phys. Rev. E , vol.59
- Thompson, K.¹ Makri, N.²

26
- 0002199685
- (2000) J. Chem. Phys. , vol.112 , pp. 47
- Wang, H.¹ Thoss, M.² Miller, W.H.³

27
- 36549099160
- (1985) J. Chem. Phys. , vol.82 , pp. 5475
- Yamashita, K.¹ Miller, W.H.²

28
- 0000746279
- (2000) J. Chem. Phys. , vol.112 , pp. 2605
- Rabani, E.¹ Krilov, G.² Berne, B.J.³

29
- 0035967406
- (2001) J. Phys. Chem. A , vol.105 , pp. 2824
- Sim, E.¹ Krilov, G.² Berne, B.³

30
- 0001372688
- (1996) J. Chem. Phys. , vol.105 , pp. 7064
- Gallicchio, E.¹ Berne, B.J.²

31
- 0001506639
- (1998) J. Chem. Phys. , vol.109 , pp. 7745
- Gallicchio, E.¹ Egorov, S.A.² Berne, B.J.³

32
- 0038131465
- (1997) J. Chem. Phys. , vol.107 , pp. 9312
- Egorov, S.A.¹ Gallicchio, E.² Berne, B.J.³

33
- 0001636492
- (1999) J. Chem. Phys. , vol.111 , pp. 9147
- Krilov, G.¹ Berne, B.J.²

34
- 36449001935
- (1994) J. Chem. Phys. , vol.100 , pp. 5093
- Cao, J.¹ Voth, G.A.²

35
- 36449006832
- (1994) J. Chem. Phys. , vol.100 , pp. 5106
- Cao, J.¹ Voth, G.A.²

36
- 36449001194
- (1994) J. Chem. Phys. , vol.101 , pp. 6157
- Cao, J.¹ Voth, G.A.²

37
- 36448999242
- (1994) J. Chem. Phys. , vol.101 , pp. 6168
- Cao, J.¹ Voth, G.A.²

38
- 36449000069
- (1994) J. Chem. Phys. , vol.101 , pp. 6184
- Cao, J.¹ Voth, G.A.²

39
- 0000491647
- (1999) J. Chem. Phys. , vol.111 , pp. 2357
- Jang, S.¹ Voth, G.A.²

40
- 0000332705
- (1999) J. Chem. Phys. , vol.111 , pp. 2371
- Jang, S.¹ Voth, G.A.²

41
- 0030588829
- (1996) Chem. Phys. Lett. , vol.262 , pp. 415
- Calhoun, A.¹ Pavese, M.² Voth, G.A.³

42
- 0001213767
- (1999) J. Chem. Phys. , vol.111 , pp. 9361
- Schmitt, U.W.¹ Voth, G.A.²

43
- 0000057227
- (1999) J. Phys. Chem. A , vol.103 , pp. 10289
- Jang, S.¹ Pak, Y.² Voth, G.A.³

44
- 0030562107
- (1996) Chem. Phys. Lett. , vol.249 , pp. 231
- Pavese, M.¹ Voth, G.A.²

45
- 0001059164
- (1997) J. Chem. Phys. , vol.106 , pp. 1154
- Kinugawa, K.¹ Moore, P.B.² Klein, M.L.³

46
- 4344597155
- (1998) J. Chem. Phys. , vol.109 , pp. 610
- Kinugawa, K.¹ Moore, P.B.² Klein, M.L.³

47
- 0000019592
- (1998) Chem. Phys. Lett. , vol.292 , pp. 454
- Kinugawa, K.¹

48
- 0033613613
- (1999) Chem. Phys. Lett. , vol.300 , pp. 93
- Pavese, M.¹ Berard, D.R.² Voth, G.A.³

49
- 0000578143
- (1999) J. Chem. Phys. , vol.110 , pp. 4523
- Miura, S.¹ Okazaki, S.² Kinugawa, K.³

50
- 0001750849
- (2000) Phys. Rev. Lett. , vol.84 , pp. 5359
- Bermejo, F.J.¹

51
- 0034224659
- (2000) J. Chem. Phys. , vol.113 , pp. 919
- Reichman, D.R.¹ Roy, P.-N.² Jang, S.³ Voth, G.A.⁴

52
- 34547303281
- (1984) Phys. Rep. , vol.106 , pp. 121
- Hillery, M.¹ O'Connell, R.F.² Scully, M.O.³ Wigner, E.P.⁴

53
- 0003589741
- (Springer, Berlin)
- (1983) Statistical Physics II - Nonequilibrium Statistical Mechanics
- Kubo, R.¹ Toda, M.² Hashitsume, N.³

54
- 0001670134
- (2001) Chem. Phys. Lett. , vol.336 , pp. 488
- Poulsen, J.¹ Keiding, S.R.² Rossky, P.J.³

55
- 36849096953
- (1971) J. Chem. Phys. , vol.55 , pp. 44
- Widom, B.¹

56
- 0001540218
- (1978) J. Chem. Phys. , vol.69 , pp. 2143
- Skinner, J.L.¹ Wolynes, P.G.²

57
- 33748374124
- (1978) J. Chem. Phys. , vol.68 , pp. 2959
- Chandler, D.¹

58
- 0001538813
- (1979) J. Chem. Phys. , vol.70 , pp. 4056
- Montgomery J.A., Jr.¹ Chandler, D.² Berne, B.J.³

59
- 0001177401
- (1999) Annu. Rev. Phys. Chem. , vol.50 , pp. 167
- Makri, N.¹

60
- 0030550147
- (1996) Chem. Phys. , vol.204 , pp. 27
- Ankerhold, J.¹ Grabert, H.²

61
- 36449006398
- (1991) J. Chem. Phys. , vol.94 , pp. 4391
- Laird, B.B.¹ Budimir, J.² Skinner, J.L.³

62
- 0006861943
- (unpublished)
- Geva, E.¹ Rosenman, E.² Tannor, D.J.³

63
- 0008989169
- (1989) J. Phys. Chem. , vol.93 , pp. 7009
- Voth, G.A.¹ Chandler, D.² Miller, W.H.³

64
- 0031700523
- (1998) J. Phys. Chem. A , vol.102 , pp. 793
- Miller, W.H.¹

65
- 0003527976
- (Harper and Row, New York)
- (1976) Statistical Mechanics
- McQuarrie, D.A.¹

66
- 0000132034
- (1999) J. Chem. Phys. , vol.110 , pp. 4828
- Wang, H.¹ Song, X.² Chandler, D.³ Miller, W.H.⁴

67
- 0000300486
- (1997) J. Chem. Phys. , vol.107 , pp. 9514
- Jang, S.¹ Voth, G.A.²

68
- 0000472207
- (1995) J. Chem. Phys. , vol.104 , pp. 4189
- Cao, J.¹ Ungar, L.W.² Voth, G.A.³

69
- 0003678550
- (Oxford University Press, New York)
- (1987) Introduction to Modern Statistical Mechanics
- Chandler, D.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.