SCOPUS 정보 검색 플랫폼

Volumn 10, Issue 15, 2008, Pages 2033-2042

Application of a kinetic energy partitioning scheme for ab initio molecular dynamics to reactions associated with ionization in water tetramers

(3) Furuhama, Ayako a,b Dupuis, Michel b Hirao, Kimihiko a,c

a UNIVERSITY OF TOKYO (Japan)

b PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

c JAPAN SCIENCE AND TECHNOLOGY AGENCY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 41549088841 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b713456h Document Type: Article

Times cited : (21)

References (40)

1
- 0037423841
- S. C. Ammal H. Yamataka M. Aida M. Dupuis Science 2003 299 1555
- (2003) Science , vol.299 , pp. 1555
- Ammal, S.C.¹ Yamataka, H.² Aida, M.³ Dupuis, M.⁴

2
- 0037012868
- L. Sun K. Song W. L. Hase Science 2002 296 875
- (2002) Science , vol.296 , pp. 875
- Sun, L.¹ Song, K.² Hase, W.L.³

3
- 0000433095
- B. K. Carpenter Acc. Chem. Res. 1992 25 520
- (1992) Acc. Chem. Res. , vol.25 , pp. 520
- Carpenter, B.K.¹

4
- 11344291182
- D. Shemesh G. M. Chaban R. B. Gerber J. Phys. Chem. A 2004 108 11477
- (2004) J. Phys. Chem. a , vol.108 , pp. 11477
- Shemesh, D.¹ Chaban, G.M.² Gerber, R.B.³

5
- 31044452054
- M. Kayanuma T. Taketsugu K. Ishii Chem. Phys. Lett. 2006 418 511
- (2006) Chem. Phys. Lett. , vol.418 , pp. 511
- Kayanuma, M.¹ Taketsugu, T.² Ishii, K.³

6
- 0032484774
- A. J. R. da Silva J. W. Pang E. A. Carter D. Neuhauser J. Phys. Chem. A 1998 102 881
- (1998) J. Phys. Chem. a , vol.102 , pp. 881
- Da Silva, A.J.R.¹ Pang, J.W.² Carter, E.A.³ Neuhauser, D.⁴

7
- 0035977636
- R. L. Hayes E. Fattal N. Govind E. A. Carter J. Am. Chem. Soc. 2001 123 641
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 641
- Hayes, R.L.¹ Fattal, E.² Govind, N.³ Carter, E.A.⁴

8
- 0000491838
- V. Termath J. Sauer Mol. Phys. 1997 91 963
- (1997) Mol. Phys. , vol.91 , pp. 963
- Termath, V.¹ Sauer, J.²

9
- 0342936427
- M. V. Vener O. Kuhn J. Sauer J. Chem. Phys. 2001 114 240
- (2001) J. Chem. Phys. , vol.114 , pp. 240
- Vener, M.V.¹ Kuhn, O.² Sauer, J.³

10
- 0041969998
- M. Aida M. Dupuis THEOCHEM 2003 633 247
- (2003) THEOCHEM , vol.633 , pp. 247
- Aida, M.¹ Dupuis, M.²

11
- 10644260596
- M. Aida M. Dupuis Chem. Phys. Lett. 2005 401 170
- (2005) Chem. Phys. Lett. , vol.401 , pp. 170
- Aida, M.¹ Dupuis, M.²

12
- 41549126213
- H. Miyachi Y. Shigeta K. Hirao Chem. Phys. Lett. 2006 432 11
- (2006) Chem. Phys. Lett. , vol.432 , pp. 11
- Miyachi, H.¹ Shigeta, Y.² Hirao, K.³

13
- 16244401931
- M. Tamaoki Y. Yamauchi H. Nakai J. Comput. Chem. 2005 26 436
- (2005) J. Comput. Chem. , vol.26 , pp. 436
- Tamaoki, M.¹ Yamauchi, Y.² Nakai, H.³

14
- 11144343821
- Y. Yamauchi H. Nakai Y. Okada J. Chem. Phys. 2004 121 11098
- (2004) J. Chem. Phys. , vol.121 , pp. 11098
- Yamauchi, Y.¹ Nakai, H.² Okada, Y.³

15
- 23744432327
- For an example, see:
- Y. Yamauchi H. Nakai J. Chem. Phys. 2005 123 034101
- (2005) J. Chem. Phys. , vol.123 , pp. 034101
- Yamauchi, Y.¹ Nakai, H.²

16
- 0035896410
- P. L. Geissler C. Dellago D. Chandler J. Hutter M. Parrinello Science 2001 291 2121
- (2001) Science , vol.291 , pp. 2121
- Geissler, P.L.¹ Dellago, C.² Chandler, D.³ Hutter, J.⁴ Parrinello, M.⁵

17
- 34547554764
- A. Furuhama M. Dupuis K. Hirao J. Chem. Phys. 2006 124 164310
- (2006) J. Chem. Phys. , vol.124 , pp. 164310
- Furuhama, A.¹ Dupuis, M.² Hirao, K.³

18
- 0037437247
- R. A. Wheeler H. T. Dong S. E. Boesch ChemPhysChem 2003 4 382
- (2003) ChemPhysChem , vol.4 , pp. 382
- Wheeler, R.A.¹ Dong, H.T.² Boesch, S.E.³

19
- 0344413575
- R. A. Wheeler H. T. Dong ChemPhysChem 2003 4 1227
- (2003) ChemPhysChem , vol.4 , pp. 1227
- Wheeler, R.A.¹ Dong, H.T.²

20
- 22944450867
- M. Schmitz P. Tavan J. Chem. Phys. 2004 121 12233
- (2004) J. Chem. Phys. , vol.121 , pp. 12233
- Schmitz, M.¹ Tavan, P.²

21
- 22944442956
- M. Schmitz P. Tavan J. Chem. Phys. 2004 121 12247
- (2004) J. Chem. Phys. , vol.121 , pp. 12247
- Schmitz, M.¹ Tavan, P.²

22
- 33750027973
- M. Martinez M. P. Gaigeot D. Borgis R. Vuilleumier J. Chem. Phys. 2006 125 144106
- (2006) J. Chem. Phys. , vol.125 , pp. 144106
- Martinez, M.¹ Gaigeot, M.P.² Borgis, D.³ Vuilleumier, R.⁴

23
- 0001239392
- R. M. Stratt Acc. Chem. Res. 1995 28 201
- (1995) Acc. Chem. Res. , vol.28 , pp. 201
- Stratt, R.M.¹

24
- 0000286431
- M. Buchner B. M. Ladanyi R. M. Stratt J. Chem. Phys. 1992 97 8522
- (1992) J. Chem. Phys. , vol.97 , pp. 8522
- Buchner, M.¹ Ladanyi, B.M.² Stratt, R.M.³

25
- 0005538815
- M. Cho G. R. Fleming S. Saito I. Ohmine R. M. Stratt J. Chem. Phys. 1994 100 6672
- (1994) J. Chem. Phys. , vol.100 , pp. 6672
- Cho, M.¹ Fleming, G.R.² Saito, S.³ Ohmine, I.⁴ Stratt, R.M.⁵

26
- 21444452155
- A. Lagutschenkov G. S. Fanourgakis G. Niedner-Schatteburg S. S. Xantheas J. Chem. Phys. 2005 122 194310
- (2005) J. Chem. Phys. , vol.122 , pp. 194310
- Lagutschenkov, A.¹ Fanourgakis, G.S.² Niedner-Schatteburg, G.³ Xantheas, S.S.⁴

27
- 0004003691
- Dover, New York
- E. B. J. Wilson, J. C. Decius and P. C. Cross, Molecular Vibrations, Dover, New York, 1980
- (1980) Molecular Vibrations
- Wilson, E.B.J.¹ Decius, J.C.² Cross, P.C.³

28
- 0001314586
- Y. V. Novakovskaya N. F. Stepanov J. Phys. Chem. A 1999 103 3185
- (1999) J. Phys. Chem. a , vol.103 , pp. 3185
- Novakovskaya, Y.V.¹ Stepanov, N.F.²

29
- 23844448393
- M. B. Day K. N. Kirschner G. C. Shields J. Phys. Chem. A 2005 109 6773
- (2005) J. Phys. Chem. a , vol.109 , pp. 6773
- Day, M.B.¹ Kirschner, K.N.² Shields, G.C.³

30
- 0031560521
- R. N. Barnett U. Landman J. Phys. Chem. A 1997 101 164
- (1997) J. Phys. Chem. a , vol.101 , pp. 164
- Barnett, R.N.¹ Landman, U.²

31
- 6344287893
- H. Tachikawa J. Phys. Chem. A 2004 108 7853
- (2004) J. Phys. Chem. a , vol.108 , pp. 7853
- Tachikawa, H.¹

32
- 35248832606
- Y. V. Novakovskaya Int. J. Quantum Chem. 2007 107 2763
- (2007) Int. J. Quantum Chem. , vol.107 , pp. 2763
- Novakovskaya, Y.V.¹

33
- 0034319336
- and references therein
- J. A. LaVerne S. M. Pimblott J. Phys. Chem. A 2000 104 9820
- (2000) J. Phys. Chem. a , vol.104 , pp. 9820
- Laverne, J.A.¹ Pimblott, S.M.²

34
- 2442617487
- J. S. Binkley J. A. Pople W. J. Hehre J. Am. Chem. Soc. 1980 102 939
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 939
- Binkley, J.S.¹ Pople, J.A.² Hehre, W.J.³

35
- 84986468715
- T. Clark J. Chandrasekhar G. W. Spitznagel P. V. Schleyer J. Comput. Chem. 1983 4 294
- (1983) J. Comput. Chem. , vol.4 , pp. 294
- Clark, T.¹ Chandrasekhar, J.² Spitznagel, G.W.³ Schleyer, P.V.⁴

36
- 33748545144
- P. C. Harihara J. A. Pople Theor. Chim. Acta 1973 28 213
- (1973) Theor. Chim. Acta , vol.28 , pp. 213
- Harihara, P.C.¹ Pople, J.A.²

37
- 0035252255
- 'HONDO'
- M. Dupuis 'HONDO' Comput. Phys. Commun. 2001 134 150
- (2001) Comput. Phys. Commun. , vol.134 , pp. 150
- Dupuis, M.¹

38
- 0012154673
- L. A. Curtiss K. Raghavachari P. C. Redfern V. Rassolov J. A. Pople J. Chem. Phys. 1998 109 7764
- (1998) J. Chem. Phys. , vol.109 , pp. 7764
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Rassolov, V.⁴ Pople, J.A.⁵

39
- 0034662896
- 17. Thus we use the method justified by the need for analysis
- S. S. Xantheas Chem. Phys. 2000 258 225
- (2000) Chem. Phys. , vol.258 , pp. 225
- Xantheas, S.S.¹

40
- 53149087875
- D. M. Ferguson, J. I. Siepman and D. G. Truhlar, Wiley, New York, p. 171
- G. H. Peslherbe, H. Wang and W. L. Hase, in Advances in Chemical Physics, ed., D. M. Ferguson,,, J. I. Siepman, and, D. G. Truhlar,, Wiley, New York, 1999, vol. 105, p. 171
- (1999) Advances in Chemical Physics, Ed.
- Peslherbe, G.H.¹ Wang, H.² Hase In, W.L.³

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