SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Journal of Chemical Theory and Computation

Volumn 9, Issue 12, 2013, Pages 5745-5753

Double-ended surface walking method for pathway building and transition state location of complex reactions

(3) Zhang, Xiao Jie a Shang, Cheng a Liu, Zhi Pan a

a FUDAN UNIVERSITY (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84890489904 PISSN: 15499618 EISSN: 15499626 Source Type: Journal
DOI: 10.1021/ct4008475 Document Type: Article

Times cited : (104)

References (55)

1
- 0034505723
- Malek, R.; Mousseau, N. Phys. Rev. E 2000, 62, 7723-7728
- (2000) Phys. Rev. e , vol.62 , pp. 7723-7728
- Malek, R.¹ Mousseau, N.²

2
- 0000327364
- Henkelman, G.; Jonsson, H. J. Chem. Phys. 1999, 111, 7010-7022
- (1999) J. Chem. Phys. , vol.111 , pp. 7010-7022
- Henkelman, G.¹ Jonsson, H.²

3
- 36749114393
- Cerjan, C. J.; Miller, W. H. J. Chem. Phys. 1981, 75, 2800-2806
- (1981) J. Chem. Phys. , vol.75 , pp. 2800-2806
- Cerjan, C.J.¹ Miller, W.H.²

4
- 50249123916
- Wang, H.-F.; Liu, Z.-P. J. Am. Chem. Soc. 2008, 130, 10996-11004
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 10996-11004
- Wang, H.-F.¹ Liu, Z.-P.²

5
- 35148901523
- Koslover, E. F.; Wales, D. J. J. Chem. Phys. 2007, 127, 134102
- (2007) J. Chem. Phys. , vol.127 , pp. 134102
- Koslover, E.F.¹ Wales, D.J.²

6
- 0003067207
- Müller, K.; Brown, L. Theor. Chim. Acta 1979, 53, 75-93
- (1979) Theor. Chim. Acta , vol.53 , pp. 75-93
- Müller, K.¹ Brown, L.²

7
- 0000560755
- Ionova, I. V.; Carter, E. A. J. Chem. Phys. 1993, 98, 6377-6386
- (1993) J. Chem. Phys. , vol.98 , pp. 6377-6386
- Ionova, I.V.¹ Carter, E.A.²

8
- 0001047952
- Ionova, I. V.; Carter, E. A. J. Chem. Phys. 1995, 103, 5437-5441
- (1995) J. Chem. Phys. , vol.103 , pp. 5437-5441
- Ionova, I.V.¹ Carter, E.A.²

9
- 0042061008
- Schlegel, H. B. J. Comput. Chem. 2003, 24, 1514-1527
- (2003) J. Comput. Chem. , vol.24 , pp. 1514-1527
- Schlegel, H.B.¹

10
- 0036696910
- E, W.; Ren, W.; Vanden-Eijnden, E. Phys. Rev. B: Condens. Matter Mater. Phys. 2002, 66, 052301
- (2002) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.66 , pp. 052301
- Ren, W.¹ Vanden-Eijnden, E.²

11
- 17544365232
- E, W.; Ren, W.; Vanden-Eijnden, E. J. Phys. Chem. B 2005, 109, 6688-6693
- (2005) J. Phys. Chem. B , vol.109 , pp. 6688-6693
- Ren, W.¹ Vanden-Eijnden, E.²

12
- 18744412161
- Quapp, W. J. Chem. Phys. 2005, 122, 174106
- (2005) J. Chem. Phys. , vol.122 , pp. 174106
- Quapp, W.¹

13
- 0000603016
- Elber, R.; Karplus, M. Chem. Phys. Lett. 1987, 139, 375-380
- (1987) Chem. Phys. Lett. , vol.139 , pp. 375-380
- Elber, R.¹ Karplus, M.²

14
- 1242329035
- Henkelman, G.; Jonsson, H. J. Chem. Phys. 2000, 113, 9978-9985
- (2000) J. Chem. Phys. , vol.113 , pp. 9978-9985
- Henkelman, G.¹ Jonsson, H.²

15
- 1442282189
- Trygubenko, S. A.; Wales, D. J. J. Chem. Phys. 2004, 120, 2082-2094
- (2004) J. Chem. Phys. , vol.120 , pp. 2082-2094
- Trygubenko, S.A.¹ Wales, D.J.²

16
- 55949137653
- Goodrow, A.; Bell, A. T.; Head-Gordon, M. J. Chem. Phys. 2008, 129, 174109
- (2008) J. Chem. Phys. , vol.129 , pp. 174109
- Goodrow, A.¹ Bell, A.T.² Head-Gordon, M.³

17
- 0034513054
- Henkelman, G.; Uberuaga, B. P.; Jonsson, H. J. Chem. Phys. 2000, 113, 9901-9904
- (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
- Henkelman, G.¹ Uberuaga, B.P.² Jonsson, H.³

18
- 84880034916
- Zimmerman, P. J. Chem. Theory Comput. 2013, 9, 3043-3050
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 3043-3050
- Zimmerman, P.¹

19
- 85005693478
- Peng, C.; Schlegel, H. B. Isr. J. Chem. 1993, 33, 449-454
- (1993) Isr. J. Chem. , vol.33 , pp. 449-454
- Peng, C.¹ Schlegel, H.B.²

20
- 0001149392
- Halgren, T. A.; Lipscomb, W. N. Chem. Phys. Lett. 1977, 49, 225-232
- (1977) Chem. Phys. Lett. , vol.49 , pp. 225-232
- Halgren, T.A.¹ Lipscomb, W.N.²

21
- 84855230274
- Schlegel, H. B. WIREs Comput Mol. Sci. 2011, 1, 790-809
- (2011) WIREs Comput Mol. Sci. , vol.1 , pp. 790-809
- Schlegel, H.B.¹

22
- 33745044234
- Wales, D. J. Int. Rev. Phys. Chem. 2006, 25, 237-282
- (2006) Int. Rev. Phys. Chem. , vol.25 , pp. 237-282
- Wales, D.J.¹

23
- 0035584869
- Henkelman, G.; Jonsson, H. J. Chem. Phys. 2001, 115, 9657-9666
- (2001) J. Chem. Phys. , vol.115 , pp. 9657-9666
- Henkelman, G.¹ Jonsson, H.²

24
- 74049164876
- Maeda, S.; Ohno, K.; Morokuma, K. J. Chem. Theory Comput. 2009, 5, 2734-2743
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 2734-2743
- Maeda, S.¹ Ohno, K.² Morokuma, K.³

25
- 84863663619
- Shang, C.; Liu, Z.-P. J. Chem. Theory Comput. 2012, 8, 2215-2222
- (2012) J. Chem. Theory Comput. , vol.8 , pp. 2215-2222
- Shang, C.¹ Liu, Z.-P.²

26
- 77951139272
- Shang, C.; Liu, Z.-P. J. Chem. Theory Comput. 2010, 6, 1136-1144
- (2010) J. Chem. Theory Comput. , vol.6 , pp. 1136-1144
- Shang, C.¹ Liu, Z.-P.²

27
- 0036790894
- Laio, A.; Parrinello, M. Proc. Natl. Acad. Sci. U. S. A. 2002, 99, 12562-12566
- (2002) Proc. Natl. Acad. Sci. U. S. A. , vol.99 , pp. 12562-12566
- Laio, A.¹ Parrinello, M.²

28
- 84868101548
- Alessandro, L.; Francesco, L. G. Rep. Prog. Phys. 2008, 71, 126601
- (2008) Rep. Prog. Phys. , vol.71 , pp. 126601
- Alessandro, L.¹ Francesco, L.G.²

29
- 0041810451
- Iannuzzi, M.; Laio, A.; Parrinello, M. Phys. Rev. Lett. 2003, 90, 238302
- (2003) Phys. Rev. Lett. , vol.90 , pp. 238302
- Iannuzzi, M.¹ Laio, A.² Parrinello, M.³

30
- 77952347763
- Burger, S. K.; Ayers, P. W. J. Chem. Phys. 2010, 132, 234110-234117
- (2010) J. Chem. Phys. , vol.132 , pp. 234110-234117
- Burger, S.K.¹ Ayers, P.W.²

31
- 84988122931
- Baker, J. J. Comput. Chem. 1986, 7, 385-395
- (1986) J. Comput. Chem. , vol.7 , pp. 385-395
- Baker, J.¹

32
- 0039047376
- Banerjee, A.; Adams, N.; Simons, J.; Shepard, R. J. Phys. Chem. 1985, 89, 52-57
- (1985) J. Phys. Chem. , vol.89 , pp. 52-57
- Banerjee, A.¹ Adams, N.² Simons, J.³ Shepard, R.⁴

33
- 84981578353
- Cárdenas-Lailhacar, C.; Zerner, M. C. Int. J. Quantum Chem. 1995, 55, 429-439
- (1995) Int. J. Quantum Chem. , vol.55 , pp. 429-439
- Cárdenas-Lailhacar, C.¹ Zerner, M.C.²

34
- 37049108301
- Dewar, M. J. S.; Healy, E. F.; Stewart, J. J. P. J. Chem. Soc., Faraday Trans. 2 1984, 80, 227-233
- (1984) J. Chem. Soc., Faraday Trans. 2 , vol.80 , pp. 227-233
- Dewar, M.J.S.¹ Healy, E.F.² Stewart, J.J.P.³

35
- 0039207937
- Wolfe, S.; Schlegel, H. B.; Csizmadia, I. G.; Bernardi, F. J. Am. Chem. Soc. 1975, 97, 2020-2024
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 2020-2024
- Wolfe, S.¹ Schlegel, H.B.² Csizmadia, I.G.³ Bernardi, F.⁴

36
- 40949088588
- Aguilar-Mogas, A.; Gimenez, X.; Bofill, J. M. J. Chem. Phys. 2008, 128, 104102
- (2008) J. Chem. Phys. , vol.128 , pp. 104102
- Aguilar-Mogas, A.¹ Gimenez, X.² Bofill, J.M.³

37
- 77957588511
- Aguilar-Mogas, A.; Giménez, X.; Bofill, J. M. J. Comput. Chem. 2010, 31, 2510-2525
- (2010) J. Comput. Chem. , vol.31 , pp. 2510-2525
- Aguilar-Mogas, A.¹ Giménez, X.² Bofill, J.M.³

38
- 79951931346
- Bofill, J. M.; Quapp, W. J. Chem. Phys. 2011, 134, 074101
- (2011) J. Chem. Phys. , vol.134 , pp. 074101
- Bofill, J.M.¹ Quapp, W.²

39
- 84890445842
- (accessed September 24).
- Henkelman, G.; Uberuaga, B.; Jónsson, H., http://theory.cm.utexas. edu/vasp/neb/ (accessed September 24, 2013).
- (2013)
- Henkelman, G.¹ Uberuaga, B.² Jónsson, H.³

40
- 33750614386
- Gonzalez, C.; Schlegel, H. B. J. Phys. Chem. 1990, 94, 5523-5527
- (1990) J. Phys. Chem. , vol.94 , pp. 5523-5527
- Gonzalez, C.¹ Schlegel, H.B.²

41
- 36749113125
- Ishida, K.; Morokuma, K.; Komornicki, A. J. Chem. Phys. 1977, 66, 2153-2156
- (1977) J. Chem. Phys. , vol.66 , pp. 2153-2156
- Ishida, K.¹ Morokuma, K.² Komornicki, A.³

42
- 0000642111
- Baker, J.; Chan, F. J. Comput. Chem. 1996, 17, 888-904
- (1996) J. Comput. Chem. , vol.17 , pp. 888-904
- Baker, J.¹ Chan, F.²

43
- 29244462339
- Heyden, A.; Bell, A. T.; Keil, F. J. J. Chem. Phys. 2005, 123, 224101
- (2005) J. Chem. Phys. , vol.123 , pp. 224101
- Heyden, A.¹ Bell, A.T.² Keil, F.J.³

44
- 33845735073
- José, M. S.; Emilio, A.; Julian, D. G.; Alberto, G.; Javier, J.; Pablo, O.; Daniel, S.-P. J. Phys.: Condens. Matter 2002, 14, 2745
- (2002) J. Phys.: Condens. Matter , vol.14 , pp. 2745
- José, M.S.¹ Emilio, A.² Julian, D.G.³ Alberto, G.⁴ Javier, J.⁵ Pablo, O.⁶ Daniel, S.-P.⁷

45
- 4243943295
- Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

46
- 0035894201
- Junquera, J.; Paz, Ó.; Sánchez-Portal, D.; Artacho, E. Phys. Rev. B: Condens. Matter Mater. Phys. 2001, 64, 235111
- (2001) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.64 , pp. 235111
- Junquera, J.¹ Paz, Ó.² Sánchez-Portal, D.³ Artacho, E.⁴

47
- 0037113457
- Anglada, E.; M. Soler, J.; Junquera, J.; Artacho, E. Phys. Rev. B: Condens. Matter Mater. Phys. 2002, 66, 205101
- (2002) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.66 , pp. 205101
- Anglada, E.¹ Soler J, M.² Junquera, J.³ Artacho, E.⁴

48
- 33750474087
- Bitzek, E.; Koskinen, P.; Gähler, F.; Moseler, M.; Gumbsch, P. Phys. Rev. Lett. 2006, 97, 170201
- (2006) Phys. Rev. Lett. , vol.97 , pp. 170201
- Bitzek, E.¹ Koskinen, P.² Gähler, F.³ Moseler, M.⁴ Gumbsch, P.⁵

49
- 42449098616
- Grabow, L. C.; Gokhale, A. A.; Evans, S. T.; Dumesic, J. A.; Mavrikakis, M. J. Phys. Chem. C 2008, 112, 4608-4617
- (2008) J. Phys. Chem. C , vol.112 , pp. 4608-4617
- Grabow, L.C.¹ Gokhale, A.A.² Evans, S.T.³ Dumesic, J.A.⁴ Mavrikakis, M.⁵

50
- 77957350630
- Zhai, Y.; Pierre, D.; Si, R.; Deng, W.; Ferrin, P.; Nilekar, A. U.; Peng, G.; Herron, J. A.; Bell, D. C.; Saltsburg, H.; Mavrikakis, M.; Flytzani-Stephanopoulos, M. Science 2010, 329, 1633-1636
- (2010) Science , vol.329 , pp. 1633-1636
- Zhai, Y.¹ Pierre, D.² Si, R.³ Deng, W.⁴ Ferrin, P.⁵ Nilekar, A.U.⁶ Peng, G.⁷ Herron, J.A.⁸ Bell, D.C.⁹ Saltsburg, H.¹⁰ Mavrikakis, M.¹¹ Flytzani-Stephanopoulos, M.¹²

51
- 27144555358
- Liu, Z.-P.; Jenkins, S. J.; King, D. A. Phys. Rev. Lett. 2005, 94, 196102
- (2005) Phys. Rev. Lett. , vol.94 , pp. 196102
- Liu, Z.-P.¹ Jenkins, S.J.² King, D.A.³

52
- 77952063534
- Tang, Q.-L.; Liu, Z.-P. J. Phys. Chem. C 2010, 114, 8423-8430
- (2010) J. Phys. Chem. C , vol.114 , pp. 8423-8430
- Tang, Q.-L.¹ Liu, Z.-P.²

53
- 84870509452
- Fang, Y.-H.; Wei, G.-F.; Liu, Z.-P. Catal. Today 2013, 202, 98-104
- (2013) Catal. Today , vol.202 , pp. 98-104
- Fang, Y.-H.¹ Wei, G.-F.² Liu, Z.-P.³

54
- 84880006784
- Zhang, X.-J.; Shang, C.; Liu, Z.-P. J. Chem. Theory Comput. 2013, 9, 3252-3260
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 3252-3260
- Zhang, X.-J.¹ Shang, C.² Liu, Z.-P.³

55
- 84874827754
- Shang, C.; Liu, Z.-P. J. Chem. Theory Comput. 2013, 9, 1838-1845
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 1838-1845
- Shang, C.¹ Liu, Z.-P.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.