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Physical Chemistry Chemical Physics

Volumn 13, Issue 28, 2011, Pages 12758-12769

A quantum description of the proton movement in an idealized NHN + bridge

(2) Lankau, Timm a Yu, Chin Hui a

a NATIONAL TSING HUA UNIVERSITY (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

AMINE; IMIDAZOLE DERIVATIVE; PROTON;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; MOLECULAR DYNAMICS; QUANTUM THEORY; TEMPERATURE;

ALGORITHMS; AMINES; HYDROGEN BONDING; IMIDAZOLES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PROTONS; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; TEMPERATURE;

EID: 79960145124 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/c0cp02172e Document Type: Article

Times cited : (7)

References (59)

1
- 33947091132
- R. Janoschek E. G. Weidemann H. Pfeiffer G. Zundel J. Am. Chem. Soc. 1972 94 2387 2396
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 2387-2396
- Janoschek, R.¹ Weidemann, E.G.² Pfeiffer, H.³ Zundel, G.⁴

2
- 2742586180
- R. Janoschek E. G. Weidemann G. Zundel J. Chem. Soc., Faraday Trans. 2 1973 69 505 520
- (1973) J. Chem. Soc., Faraday Trans. 2 , vol.69 , pp. 505-520
- Janoschek, R.¹ Weidemann, E.G.² Zundel, G.³

3
- 27844452636
- A. Staib D. Borgis J. T. Hynes J. Chem. Phys. 1995 102 2487 2505
- (1995) J. Chem. Phys. , vol.102 , pp. 2487-2505
- Staib, A.¹ Borgis, D.² Hynes, J.T.³

4
- 0027133903
- J. A. Gerlt P. G. Gassman J. Am. Chem. Soc. 1993 115 11552 11568
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 11552-11568
- Gerlt, J.A.¹ Gassman, P.G.²

5
- 0029040169
- A. Warshel A. Papazyan P. A. Kollmann W. W. Cleland M. M. Kreevoy P. A. Frey Science 1995 269 102 106
- (1995) Science , vol.269 , pp. 102-106
- Warshel, A.¹ Papazyan, A.² Kollmann, P.A.³ Cleland, W.W.⁴ Kreevoy, M.M.⁵ Frey, P.A.⁶

6
- 0032475836
- W. W. Cleland P. A. Frey J. A. Gerlt J. Biol. Chem. 1998 273 25529 25532
- (1998) J. Biol. Chem. , vol.273 , pp. 25529-25532
- Cleland, W.W.¹ Frey, P.A.² Gerlt, J.A.³

7
- 0031127432
- J. A. Gerlt M. M. Kreevoy W. W. Cleland P. A. Frey Chem. Biol. 1997 4 259 267
- (1997) Chem. Biol. , vol.4 , pp. 259-267
- Gerlt, J.A.¹ Kreevoy, M.M.² Cleland, W.W.³ Frey, P.A.⁴

8
- 0030090490
- J. P. Guthrie Chem. Biol. 1996 3 163 170
- (1996) Chem. Biol. , vol.3 , pp. 163-170
- Guthrie, J.P.¹

9
- 0033168713
- A. Kohen J. Klinman Chem. Biol. 1999 6 R191 R198
- (1999) Chem. Biol. , vol.6
- Kohen, A.¹ Klinman, J.²

10
- 0033568523
- N. S. Scrutton J. Basran M. J. Sutcliffe Eur. J. Biochem. 1999 264 666 671
- (1999) Eur. J. Biochem. , vol.264 , pp. 666-671
- Scrutton, N.S.¹ Basran, J.² Sutcliffe, M.J.³

11
- 0346672693
- M. J. Sutcliffe N. S. Scrutton Philos. Trans. R. Soc. London, Ser. A 2000 358 367 386
- (2000) Philos. Trans. R. Soc. London, Ser. A , vol.358 , pp. 367-386
- Sutcliffe, M.J.¹ Scrutton, N.S.²

12
- 0035940264
- J. Villà A. Warshel J. Phys. Chem. B 2001 105 7887 7907
- (2001) J. Phys. Chem. B , vol.105 , pp. 7887-7907
- Villà, J.¹ Warshel, A.²

13
- 0026707687
- W. Bruno W. Bialek Biophys. J. 1992 63 689 699
- (1992) Biophys. J. , vol.63 , pp. 689-699
- Bruno, W.¹ Bialek, W.²

14
- 77955165990
- D. G. Truhlar J. Phys. Org. Chem. 2010 23 660 676
- (2010) J. Phys. Org. Chem. , vol.23 , pp. 660-676
- Truhlar, D.G.¹

15
- 0035833819
- T. Asada H. Haraguchi K. Kitaura J. Phys. Chem. A 2001 105 7423 7428
- (2001) J. Phys. Chem. A , vol.105 , pp. 7423-7428
- Asada, T.¹ Haraguchi, H.² Kitaura, K.³

16
- 36549038209
- K. R. Asmis Y. Yang G. Santambrogio M. Brümmer J. R. Roscioli L. R. McCunn M. A. Johnson O. Kühn Angew. Chem. Int. Ed. 2007 46 8691 8694
- (2007) Angew. Chem. Int. Ed. , vol.46 , pp. 8691-8694
- Asmis, K.R.¹ Yang, Y.² Santambrogio, G.³ Brümmer, M.⁴ Roscioli, J.R.⁵ McCunn, L.R.⁶ Johnson, M.A.⁷ Kühn, O.⁸

17
- 77953714300
- I. Majerz I. Olovsson J. Mol. Struct. 2010 976 11 18
- (2010) J. Mol. Struct. , vol.976 , pp. 11-18
- Majerz, I.¹ Olovsson, I.²

18
- 67649743681
- T. Lankau C.-H. Yu Int. J. Quantum Chem. 2009 109 2286 2296
- (2009) Int. J. Quantum Chem. , vol.109 , pp. 2286-2296
- Lankau, T.¹ Yu, C.-H.²

19
- 77953217998
- T. Lankau C.-H. Yu J. Comput. Chem. 2010 31 1853 1859
- (2010) J. Comput. Chem. , vol.31 , pp. 1853-1859
- Lankau, T.¹ Yu, C.-H.²

20
- 38749122875
- R. N. Karingithi C. L. Shaw E. W. Roberts P. A. Molina THEOCHEM 2008 851 92 99
- (2008) THEOCHEM , vol.851 , pp. 92-99
- Karingithi, R.N.¹ Shaw, C.L.² Roberts, E.W.³ Molina, P.A.⁴

21
- 0031275493
- M. Garcia-Viloca R. Gelabert A. Gonzalez-Lafont M. Moreno J. M. Lluch J. Phys. Chem. A 1997 101 8727 8733
- (1997) J. Phys. Chem. A , vol.101 , pp. 8727-8733
- Garcia-Viloca, M.¹ Gelabert, R.² Gonzalez-Lafont, A.³ Moreno, M.⁴ Lluch, J.M.⁵

22
- 0002392195
- A. Hayd E. G. Weidemann G. Zundel J. Chem. Phys. 1979 70 86 91
- (1979) J. Chem. Phys. , vol.70 , pp. 86-91
- Hayd, A.¹ Weidemann, E.G.² Zundel, G.³

23
- 0034600108
- A. Hayd G. Zundel J. Mol. Struct. 2000 500 421 427
- (2000) J. Mol. Struct. , vol.500 , pp. 421-427
- Hayd, A.¹ Zundel, G.²

24
- 0001495620
- Z. Malarski M. Rospenk L. Sobczyk E. Grech J. Phys. Chem. 1982 86 401 406
- (1982) J. Phys. Chem. , vol.86 , pp. 401-406
- Malarski, Z.¹ Rospenk, M.² Sobczyk, L.³ Grech, E.⁴

25
- 33645664307
- M. Kaledin A. L. Kaledin J. M. Bowman J. Phys. Chem. A 2006 110 2933 2939
- (2006) J. Phys. Chem. A , vol.110 , pp. 2933-2939
- Kaledin, M.¹ Kaledin, A.L.² Bowman, J.M.³

26
- 66749087495
- M. Kaledin J. M. Moffitt C. R. Clark J. Chem. Theor. Comput. 2009 5 1328 1336
- (2009) J. Chem. Theor. Comput. , vol.5 , pp. 1328-1336
- Kaledin, M.¹ Moffitt, J.M.² Clark, C.R.³

27
- 77955582459
- M. Kaledin C. A. Wood J. Chem. Theor. Comput. 2010 6 2525 2535
- (2010) J. Chem. Theor. Comput. , vol.6 , pp. 2525-2535
- Kaledin, M.¹ Wood, C.A.²

28
- 77954187862
- X. Li J. Oomens J. R. Eyler D. T. Moore S. S. Iyengar J. Chem. Phys. 2010 132 244301 244326
- (2010) J. Chem. Phys. , vol.132 , pp. 244301-244326
- Li, X.¹ Oomens, J.² Eyler, J.R.³ Moore, D.T.⁴ Iyengar, S.S.⁵

29
- 0000234681
- A. Suárez R. Silbey J. Chem. Phys. 1991 94 4809 4816
- (1991) J. Chem. Phys. , vol.94 , pp. 4809-4816
- Suárez, A.¹ Silbey, R.²

30
- 24944583501
- M. Benoit D. Marx ChemPhysChem 2005 6 1738 1741
- (2005) ChemPhysChem , vol.6 , pp. 1738-1741
- Benoit, M.¹ Marx, D.²

31
- 36849118359
- R. L. Somorjai D. F. Hornig J. Chem. Phys. 1962 36 1980 1987
- (1962) J. Chem. Phys. , vol.36 , pp. 1980-1987
- Somorjai, R.L.¹ Hornig, D.F.²

32
- 19444370950
- C. Totsuji T. Matsubara J. Phys. Soc. Jpn. 1994 63 2760 2768
- (1994) J. Phys. Soc. Jpn. , vol.63 , pp. 2760-2768
- Totsuji, C.¹ Matsubara, T.²

33
- 67649556060
- A. B. McCoy E. G. Diken M. A. Johnson J. Phys. Chem. A 2009 113 7346 7352
- (2009) J. Phys. Chem. A , vol.113 , pp. 7346-7352
- McCoy, A.B.¹ Diken, E.G.² Johnson, M.A.³

34
- 58249119639
- O. Vendrell F. Gatti H.-D. Meyer Angew. Chem., Int. Ed. 2009 48 352 355
- (2009) Angew. Chem., Int. Ed. , vol.48 , pp. 352-355
- Vendrell, O.¹ Gatti, F.² Meyer, H.-D.³

35
- 67651177793
- O. Vendrell F. Gatti H.-D. Meyer J. Chem. Phys. 2009 131 34308 34317
- (2009) J. Chem. Phys. , vol.131 , pp. 34308-34317
- Vendrell, O.¹ Gatti, F.² Meyer, H.-D.³

36
- 0042882332
- A. J. Bieko Z. Latajka W. Sawka-Dobrowolska L. Sobczyk V. A. Ozeryanskii A. F. Pozharskii E. Grech J. Nowicka-Scheibe J. Chem. Phys. 2003 119 4313 4319
- (2003) J. Chem. Phys. , vol.119 , pp. 4313-4319
- Bieko, A.J.¹ Latajka, Z.² Sawka-Dobrowolska, W.³ Sobczyk, L.⁴ Ozeryanskii, V.A.⁵ Pozharskii, A.F.⁶ Grech, E.⁷ Nowicka-Scheibe, J.⁸

37
- 43949143517
- X. Li D. T. Moore S. S. Iyengar J. Chem. Phys. 2008 128 184308 184308
- (2008) J. Chem. Phys. , vol.128 , pp. 184308-184308
- Li, X.¹ Moore, D.T.² Iyengar, S.S.³

38
- 70349259266
- S. T. Roberts P. B. Petersen K. Ramasesha A. Tokmakoff I. S. Ufimtsev T. J. Martinez Proc. Natl. Acad. Sci. U. S. A. 2009 106 15154 15159
- (2009) Proc. Natl. Acad. Sci. U. S. A. , vol.106 , pp. 15154-15159
- Roberts, S.T.¹ Petersen, P.B.² Ramasesha, K.³ Tokmakoff, A.⁴ Ufimtsev, I.S.⁵ Martinez, T.J.⁶

39
- 34249857084
- G. Mathias D. Marx Proc. Natl. Acad. Sci. U. S. A. 2007 104 6980 6985
- (2007) Proc. Natl. Acad. Sci. U. S. A. , vol.104 , pp. 6980-6985
- Mathias, G.¹ Marx, D.²

40
- 58149376459
- P. Phataka N. Ghoshb H. Yub Q. Cuib M. Elstner Proc. Natl. Acad. Sci. U. S. A. 2008 105 19672 19677
- (2008) Proc. Natl. Acad. Sci. U. S. A. , vol.105 , pp. 19672-19677
- Phataka, P.¹ Ghoshb, N.² Yub, H.³ Cuib, Q.⁴ Elstner, M.⁵

41
- 0034718630
- G. Gilli P. Gilli J. Mol. Struct. 2000 552 1 15
- (2000) J. Mol. Struct. , vol.552 , pp. 1-15
- Gilli, G.¹ Gilli, P.²

42
- 33845789750
- T. Lankau C.-H. Yu Phys. Chem. Chem. Phys. 2007 9 299 310
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 299-310
- Lankau, T.¹ Yu, C.-H.²

43
- 0037233624
- C. L. Perrin B. K. Ohta J. Mol. Struct. 2003 664 1 12
- (2003) J. Mol. Struct. , vol.664 , pp. 1-12
- Perrin, C.L.¹ Ohta, B.K.²

44
- 33845598220
- T. Lankau C.-H. Yu Chem. Phys. Lett. 2007 433 275 278
- (2007) Chem. Phys. Lett. , vol.433 , pp. 275-278
- Lankau, T.¹ Yu, C.-H.²

45
- 34548685706
- B. Auer R. Kumar J. R. Schmidt J. L. Skinner Proc. Natl. Acad. Sci. U. S. A. 2007 104 14215 14220
- (2007) Proc. Natl. Acad. Sci. U. S. A. , vol.104 , pp. 14215-14220
- Auer, B.¹ Kumar, R.² Schmidt, J.R.³ Skinner, J.L.⁴

46
- 0004161838
- Cambridge University Press, Cambridge, 2nd edn
- W. H. Press, B. P. Flannery, S. A. Teukolsky and W. T. Vetterling, Numerical Recipes in C, Cambridge University Press, Cambridge, 2nd edn, 1994
- (1994) Numerical Recipes in C
- Press, W.H.¹ Flannery, B.P.² Teukolsky, S.A.³ Vetterling, W.T.⁴

47
- 0036479248
- C. L. Perrin B. K. Ohta Bioorg. Chem. 2002 30 3 15
- (2002) Bioorg. Chem. , vol.30 , pp. 3-15
- Perrin, C.L.¹ Ohta, B.K.²

48
- 0003653882
- T. Williams, C. Kelley and many others, Gnuplot 4.0, 2004. http://www.gnuplot.info/faq/
- (2004) Gnuplot 4.0
- Williams, T.¹ Kelley, C.²

50
- 0031576963
- R. H. Hertwig W. Koch Chem. Phys. Lett. 1997 268 345 351
- (1997) Chem. Phys. Lett. , vol.268 , pp. 345-351
- Hertwig, R.H.¹ Koch, W.²

51
- 79960111580
- M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis and J. A. Montgomery, Gamess US, 2009
- (2009) Gamess US
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, S.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.J.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montgomery, J.A.¹³

52
- 0004014214
- 14.10
- S. W. Smith, the scientist and engineer's guide to digital signal processing, 14.10.2010. http://www.dspguide.com/
- (2010) The Scientist and Engineer's Guide to Digital Signal Processing
- Smith, S.W.¹

53
- 0001370449
- M. Garcia-Viloca A. Gonzalez-Lafont J. M. Lluch J. Phys. Chem. A. 1997 101 3880 3886
- (1997) J. Phys. Chem. A. , vol.101 , pp. 3880-3886
- Garcia-Viloca, M.¹ Gonzalez-Lafont, A.² Lluch, J.M.³

54
- 16844385432
- P. Gilli V. Bertolasi L. Pretto L. Antonov G. Gilli J. Am. Chem. Soc. 2005 127 4943 4953
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 4943-4953
- Gilli, P.¹ Bertolasi, V.² Pretto, L.³ Antonov, L.⁴ Gilli, G.⁵

55
- 0028030684
- W. W. Cleland M. M. Kreevoy Science 1994 264 1887 1890
- (1994) Science , vol.264 , pp. 1887-1890
- Cleland, W.W.¹ Kreevoy, M.M.²

56
- 0030632978
- C. L. Perrin J. B. Nielson Annu. Rev. Phys. Chem. 1997 48 511 544
- (1997) Annu. Rev. Phys. Chem. , vol.48 , pp. 511-544
- Perrin, C.L.¹ Nielson, J.B.²

57
- 0000056527
- E. Grech Z. Malarski W. Sawka-Dobrowolska L. Sobczyk J. Phys. Org. Chem. 1999 12 313 318
- (1999) J. Phys. Org. Chem. , vol.12 , pp. 313-318
- Grech, E.¹ Malarski, Z.² Sawka-Dobrowolska, W.³ Sobczyk, L.⁴

58
- 0037470409
- K. R. Asmis N. L. Pivonka G. Santambrogio M. Brümmer C. Kaposta D. M. Neumark L. Wöste Science 2003 299 1375 1377
- (2003) Science , vol.299 , pp. 1375-1377
- Asmis, K.R.¹ Pivonka, N.L.² Santambrogio, G.³ Brümmer, M.⁴ Kaposta, C.⁵ Neumark, D.M.⁶ Wöste, L.⁷

59
- 0009528893
- S. L. Johnson K. A. Rumon J. Phys. Chem. 1965 76 74 86
- (1965) J. Phys. Chem. , vol.76 , pp. 74-86
- Johnson, S.L.¹ Rumon, K.A.²

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