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Journal of Chemical Physics

Volumn 117, Issue 5, 2002, Pages 1962-1966

The optimal tunneling path for the proton transfer in malonaldehyde

(4) Tautermann, Christofer S a Voegele, Andreas F a Loerting, Thomas a Liedl, Klaus R a

a UNIVERSITY OF INNSBRUCK (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRON TUNNELING; GLOBAL OPTIMIZATION; GROUND STATE; INTEGRAL EQUATIONS; INTERPOLATION; LOW TEMPERATURE EFFECTS; PROBABILITY DENSITY FUNCTION; PROTONS; QUANTUM THEORY; SIMULATED ANNEALING;

MALONALDEHYDE; MINIMUM ENERGY PATH; OPTIMAL TUNNELING PATH; PROTON TRANSFER; PROTON TUNNELING REACTION; SOFTWARE PACKAGE GAUSSIAN 98; TUNNELING SPLITTING;

ALDEHYDES;

EID: 0036678159 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1488924 Document Type: Article

Times cited : (84)

References (47)

1
- 0001074254
- (1932) Z. Phys. Chem. Abt. B , vol.32 , pp. 203
- Wigner, E.¹

2
- 2142746284
- (1935) J. Chem. Phys. , vol.3 , pp. 107
- Eyring, H.¹

3
- 33845551595
- (1983) J. Phys. Chem. , vol.87 , pp. 2664
- Truhlar, D.G.¹ Hase, W.L.² Hynes, J.T.³

4
- 0030218764
- (1996) J. Phys. Chem. , vol.100 , pp. 12771
- Truhlar, D.G.¹ Garrett, B.C.² Klippenstein, S.J.³

5
- 36749120357
- (1980) J. Chem. Phys. , vol.72 , pp. 99
- Miller, W.H.¹ Handy, N.C.² Adams, J.E.³

6
- 0003399579
- (Clarendon, Oxford)
- (1991) Semiclassical Mechanics with Molecular Applications
- Child, M.¹

7
- 33749311086
- (1983) J. Chem. Phys. , vol.79 , pp. 4931
- Garret, B.C.¹ Truhlar, D.G.²

8
- 0001046057
- (1989) Chem. Phys. , vol.136 , pp. 271
- Garrett, B.C.¹ Joseph, T.² Truong, T.N.³ Truhlar, D.G.⁴

9
- 0001432896
- edited by J. Bertran and I. G. Csizmadia (Kluwer, Dordrecht)
- (1989) New Theoretical Concepts for Understanding Organic Reactions , pp. 291-346
- Tucker, S.C.¹ Truhlar, D.G.²

10
- 0001319144
- (1990) Science , vol.249 , pp. 491
- Truhlar, D.G.¹ Gordon, M.S.²

11
- 0035105258
- (2001) J. Chem. Phys. , vol.114 , pp. 1491
- Fernández-Ramos, A.¹ Truhlar, D.G.²

12
- 36749114243
- (1975) J. Chem. Phys. , vol.62 , pp. 1899
- Miller, W.H.¹

13
- 0001769136
- edited by Antonino Zichichi (Plenum, New York)
- (1979) The Whys of Subnuclear Physics , pp. 805-916
- Coleman, S.¹

14
- 0001768623
- Chemical Dynamics at Low Temperatures
- (Wiley, New York)
- (1994) Advances in Chemical Physics , vol.88
- Benderskii, V.A.¹ Makarov, D.E.² Wight, C.A.³

15
- 36449006826
- (1995) J. Chem. Phys. , vol.102 , pp. 7024
- Smedarchina, Z.¹ Siebrand, W.² Zgierski, M.Z.³ Zerbetto, F.⁴

16
- 0033417081
- (1999) Chem. Phys. , vol.244 , pp. 299
- Benderskii, V.A.¹ Vetoshkin, E.V.² Trommsdorff, H.P.³

17
- 0005636158
- (1997) J. Chem. Phys. , vol.106 , pp. 9356
- Smedarchina, Z.¹ Fernández-Ramos, A.² Rios, M.A.³

18
- 0000466966
- (1995) J. Chem. Phys. , vol.103 , pp. 5326
- Smedarchina, Z.¹ Siebrand, W.² Zgierski, M.Z.³

19
- 0013424080
- (1998) J. Chem. Phys. , vol.109 , pp. 1004
- Fernández-Ramos, A.¹ Smedarchina, Z.² Zgierski, M.Z.³ Siebrand, W.⁴

20
- 84962426678
- (2001) J. Chem. Phys. , vol.114 , pp. 1567
- Fernández-Ramos, A.¹ Smedarchina, Z.² Rodríguez-Otero, J.³

21
- 0000942566
- (1977) J. Chem. Phys. , vol.67 , pp. 2609
- Marcus, R.A.¹ Coltrin, E.²

22
- 0242314685
- (1982) J. Chem. Phys. , vol.77 , pp. 5955
- Skodje, R.T.¹ Truhlar, D.²

23
- 0000928111
- (1979) J. Phys. Chem. , vol.83 , pp. 960
- Miller, W.H.¹

24
- 0003014984
- (1976) Faraday Discuss. , vol.62 , pp. 40
- Miller, W.H.¹

25
- 11744297921
- (1986) Science , vol.233 , pp. 171
- Miller, W.H.¹

26
- 0021411708
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 2265
- Turner, P.¹ Baughcum, S.L.² Coy, S.L.³ Smith, Z.⁴

27
- 0001083185
- (1999) J. Chem. Phys. , vol.110 , pp. 4131
- Baba, T.¹ Tanaka, T.² Morino, I.³ Yamada, K.M.T.⁴ Tanaka, K.⁵

28
- 0001468756
- (1989) J. Chem. Phys. , vol.91 , pp. 4026
- Makri, N.¹ Miller, W.H.²

29
- 0001453711
- (1994) Chem. Phys. Lett. , vol.224 , pp. 470
- Guo, Y.¹ Sewell, T.D.² Thompson, D.L.³

30
- 0000905542
- (1996) J. Chem. Phys. , vol.105 , pp. 11007
- Barone, V.¹ Adamo, C.²

31
- 36549103570
- (1988) J. Chem. Phys. , vol.88 , pp. 922
- Page, M.¹ McIver, J.W.²

32
- 0003852436
- University of Minnesota, Minneapolis
- (2000) Polyrate, Version 8.5
- Chuang, Y.-Y.¹ Corchado, J.C.² Fast, P.L.³

33
- 0004195870
- University of Minnesota, Minneapolis
- (2000) Gaussrate 8.5
- Corchado, J.C.¹ Coitiño, E.L.² Chuang, Y.-Y.³ Truhlar, D.G.⁴

34
- 15444378272
- (1997) J. Mol. Struct.: THEOCHEM , vol.417 , pp. 89
- Jursic, B.S.¹

35
- 0004133516
- Gaussian, Inc., Pittsburgh PA
- (1998) Gaussian 98, Revision A.7
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

36
- 0000491428
- (1997) J. Chem. Phys. , vol.107 , pp. 9413
- Baboul, A.G.¹ Schlegel, H.B.²

37
- 0001555303
- (1994) J. Chem. Soc., Faraday Trans. , vol.90 , pp. 1715
- Hu, W.P.¹ Liu, Y.P.² Truhlar, D.G.³

38
- 0000180161
- (1999) J. Phys. Chem. A , vol.103 , pp. 9022
- Loerting, T.¹ Liedl, K.R.²

39
- 0001262315
- (2000) Angew. Chem. Int. Ed. Engl. , vol.39 , pp. 891
- Loerting, T.¹ Tautermann, C.² Kroemer, R.T.³ Kohl, I.⁴ Hallbrucker, A.⁵ Mayer, E.⁶ Liedl, K.R.⁷

40
- 0034697767
- (Cambridge)
- (2000) Chem. Commun. , vol.12 , pp. 999
- Loerting, T.¹ Kroemer, R.T.² Liedl, K.R.³

41
- 0036679099
- following paper
- (2002) J. Chem. Phys. , vol.117 , pp. 1967
- Tautermann, C.S.¹ Voegele, A.F.² Loerting, T.³ Liedl, K.R.⁴

42
- 0034386550
- (2000) Am. J. Phys. , vol.68 , pp. 430
- Garg, A.¹

43
- 5744249209
- (1953) J. Chem. Phys. , vol.21 , pp. 1087
- Metropolis, N.¹ Rosenbluth, A.² Rosenbluth, M.³ Teller, A.⁴ Teller, E.⁵

44
- 26444479778
- (1983) Science , vol.220 , pp. 671
- Kirkpatrick, S.¹ Gelatt C.D., Jr.² Vecchi, M.P.³

45
- 0003474751
- (Cambridge University Press, Cambridge)
- (1992) Numerical Recipies in C
- Press, W.T.V.W.H.¹ Teukolsky, S.A.² Flannery, B.P.³

46
- 0003682276
- MATLAB; The MathWorks, Inc., Natick, MA 01760-1500 USA
- (1999) High Performance Numeric Computation and Visualization Software, 5.3.1.29215a Ed.

47
- 0003767850
- (CRC, Boca Raton, FL)
- (1985) Theory of Chemical Reaction Dynamics , pp. 65-137
- Truhlar, D.G.¹ Isaacson, A.D.² Garrett, B.C.³

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