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Chemical Physics

Volumn 255, Issue 2-3, 2000, Pages 149-163

Density functional calculations on simple carbonyl bases: Protonation and hydrogen bond formation with water

(3) Chandra, Asit K a Nguyen, Minh Tho a Zeegers Huyskens, Thérèse a

a UNIVERSITY OF LEUVEN (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CARBONYL DERIVATIVE; DIMER; HYDROGEN; WATER;

ARTICLE; ATOM; BINDING AFFINITY; CALCULATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY; GEOMETRY; HYDROGEN BOND; INFRARED RADIATION; MOLECULAR INTERACTION; PROTON TRANSPORT; THEORY; VIBRATION;

EID: 0034190021 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/S0301-0104(00)00079-3 Document Type: Article

Times cited : (25)

References (67)

1
- 0001307597
- P. Schuster, G. Zundel, C. Sandorfy (Eds.), The Hydrogen Bond. Recent Developments in Theory and Experiments. Part II, North-Holland, Amsterdam
- (1976) , pp. 567
- Hadzi, D.¹ Bratos, S.²

2
- 0008092206
- Hydrogen Bonding, Marcel Dekker, New York
- (1974)
- Joesten, M.¹ Schaad, L.J.²

3
- 33845469806
- (1984) J. Phys. Chem. , vol.88 , pp. 2636
- Kasende, O.¹ Zeegers-Huyskens, Th.²

4
- 33748622942
- (1994) J. Mol. Struct. (Theochem) , vol.301 , pp. 1
- Gould, I.R.¹ Hillier, I.H.²

5
- 0001576358
- (1995) Can. J. Chem. , vol.73 , pp. 483
- Hagelin, H.¹ Muray, J.S.² Brinck, T.³ Berthelot, M.⁴ Politzer, P.⁵

6
- 0000294173
- (1986) Chem. Phys. Lett. , vol.129 , pp. 172
- Zeegers-Huyskens, Th.¹

7
- 0041969689
- (1988) J. Mol. Struct. , vol.177 , pp. 125
- Zeegers-Huyskens, Th.¹

8
- 0000249431
- (1986) Chemtechnology , pp. 567
- Kamlet, M.J.¹ Doherty, R.M.² Abboud, J.L.³ Abraham, M.H.⁴ Taft, R.W.⁵

9
- 0008138242
- P.L. Huyskens, W.A.P. Luck, Th. Zeegers-Huyskens (Eds.), Intermolecular Forces. An Introduction to Modern Methods and Results, Springer, Berlin
- (1991) , pp. 1
- Zeegers-Huyskens, Th.¹ Huyskens, P.²

10
- 0001108871
- (1998) J. Phys. Chem. A , vol.102 , pp. 3782
- Rablen, P.R.¹ Lockman, J.W.² Jorgensen, W.L.³

11
- 0001143549
- (1988) J. Chem. Soc. Faraday Trans. , vol.2 , Issue.84 , pp. 893
- Levell, X.Q.¹ Hillier, I.H.² Field, M.J.³ Morris, J.J.⁴ Taylor, P.J.⁵

12
- 0032558076
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 6980
- Meotner, M.M.¹ Scheiner, S.² Yu, W.O.³

13
- 0008044133
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 7526
- Del Bene, J.E.¹ Vaccaro, A.²

14
- 0000768548
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 3556
- Grier, D.L.¹ Streitwieser, A.²

15
- 33845282074
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 5935
- Wiberg, K.M.¹ Laidig, K.E.²

16
- 0001766959
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 8644
- Wiberg, K.W.¹ Hada, C.M.² Rablen, P.R.³ Ciolowski, J.⁴

17
- 0000562558
- (1994) J. Org. Chem. , vol.59 , pp. 6817
- Wiberg, K.M.¹ Marquez, M.² Castejon, H.³

18
- 0000411992
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 1277
- Hartz, N.¹ Rasul, G.² Olah, G.³

19
- 37049069389
- (1994) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 799
- Speers, P.¹ Laidig, K.E.²

20
- 0000698338
- (1998) J. Phys. Chem. A , vol.102 , pp. 5124
- Del Bene, J.E.¹ Gwaltney, S.R.² Bartlett, R.J.³

21
- 0000584320
- (1992) J. Chem. Soc. Faraday Trans. , vol.88 , pp. 2111
- Lee, E.F.¹ Dyke, J.M.²

22
- 0001713319
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 1958
- Scheiner, S.¹ Wang, L.²

23
- 36849107181
- (1971) J. Chem. Phys. , vol.55 , pp. 1236
- Morokuma, K.¹

24
- 0001730723
- (1970) Theor. Chim. Acta , vol.19 , pp. 212
- Schuster, P.¹

25
- 0008091119
- (1973) J. Am. Chem. Soc. , vol.95 , pp. 7563
- Iwata, S.¹ Morokuma, K.²

26
- 0008045747
- (1975) J. Chem. Phys. , vol.62 , pp. 1314
- Del Bene, J.E.¹

27
- 0000356371
- (1974) J. Am. Chem. Soc. , vol.96 , pp. 3794
- Johansson, A.¹ Kollman, P.²

28
- 0000530915
- (1989) J. Phys. Chem. , vol.93 , pp. 4478
- Kumpf, R.A.¹ Damewood J.R., Jr.²

29
- 36449007867
- (1994) J. Chem. Phys. , vol.100 , pp. 4347
- Ramelot, T.A.¹ Hu, C.H.² Fowler, J.E.³ DeLeeuw, B.J.⁴ Schafer III, H.F.⁵

30
- 0001412027
- (1999) J. Chem. Phys. , vol.110 , pp. 7245
- Masella, M.¹ Flament, J.P.²

31
- 33751386268
- (1993) J. Phys. Chem. , vol.97 , pp. 4320
- Zhang, X.K.¹ Lewars, E.G.² March, R.E.³ Parnis, J.M.⁴

32
- 0000518582
- (1986) J. Chem. Phys. , vol.84 , pp. 3271
- Jasien, P.G.¹ Stevens, W.J.²

33
- 0000537653
- (1993) J. Chem. Phys. , vol.99 , pp. 4894
- Nelander, B.¹

34
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

35
- 0000189651
- (1993) Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

37
- 0001042824
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 4391
- Sim, F.¹ St-Amant, A.² Papai, I.³ Salahub, D.R.⁴

38
- 0008154496
- (1994) J. Chem. Phys. , vol.101 , pp. 4472
- Latajka, Z.¹ Bouteiller, Y.²

39
- 33645716728
- (1994) J. Phys. Chem. , vol.98 , pp. 10089
- Kim, K.¹ Jordan, K.D.²

40
- 0001320016
- (1998) J. Phys. Chem. A , vol.102 , pp. 6010
- Chandra, A.K.¹ Nguyen, M.T.² Zeegers-Huyskens, Th.³

41
- 0008045748
- Landolt-Bornstein, New Series, Springer, Berlin
- (1976) , vol.7

42
- 0008130810
- Landolt-Bornstein, New Series, Springer, Berlin
- (1987) , vol.15

43
- 0008039891
- Landolt-Bornstein, New Series, Springer, Berlin
- (1992) , vol.21

44
- 84914751407
- (1984) J. Phys. Chem. Ref. Data , vol.13 , pp. 695
- Lias, S.G.¹ Liebman, J.F.² Levin, R.D.³

45
- 0001886775
- (1980) J. Chem. Phys. , vol.72 , pp. 77
- Nelander, B.¹

46
- 0001448719
- (1992) Chem. Phys. , vol.159 , pp. 281
- Nelander, B.¹

47
- 2142665321
- (1997) Int. J. Mass Spectrosc. Ion Proc. , vol.165-166 , pp. 49
- Witt, M.¹ Grutzmacher, H.F.²

48
- 0008088558
- A. Streitwieser Jr., R.W. Taft (Eds.), Progress in Physical Organic Chemistry, Interscience, New York
- (1968) , pp. 150
- Wells, P.R.¹ Ehrenson, S.² Taft, R.W.³

49
- 0001543821
- (1964) Tetrahedron Lett. , pp. 2553
- Hamlow, H.P.¹ Okada, S.² Nakagawa, N.³

50
- 0008136351
- (1965) C. R. Acad. Sci. Paris , vol.261 , pp. 2637
- Freymann, R.¹

51
- 0000939670
- (1970) Can. J. Chem. , vol.48 , pp. 3229
- Krueger, P.J.¹

52
- 84942695755
- (1958) Chem. Ber. , vol.91 , pp. 2157
- Bohlmann, F.¹

53
- 0005566192
- (1989) J. Mol. Struct. , vol.200 , pp. 565
- Pawelka, Z.¹ Zeegers-Huyskens, Th.²

54
- 0033552238
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 9411
- Gu, Y.¹ Kar, T.² Scheiner, S.³

55
- 33748603490
- (1997) J. Chem. Soc. Faraday Trans. , vol.93 , pp. 33
- Nguyen, M.T.¹ Leroux, N.² Zeegers-Huyskens, Th.³

56
- 0000537653
- (1993) J. Chem. Phys. , vol.99 , pp. 4894
- Engdahl, A.¹ Nelander, B.² Astrand, P.O.³

57
- 0008039016
- R. Fausto (Ed.), Recent Experimental and Computational Advances in Molecular Spectroscopy, Kluwer, Dordrecht
- (1993) , pp. 152
- Person, W.B.¹ Szczepaniak, K.² Szczesniak, M.³ Del Bene, J.E.⁴

58
- 0008091801
- P. Schuster, G. Zundel, C. Sandorfy (Eds.), The Hydrogen Bond. Part II, North Holland, Amsterdam
- (1976) , pp. 567
- Sandorfy, C.¹

59
- 0002267252
- (1998) Vibrat. Spectrosc. , vol.18 , pp. 41
- Pawelka, Z.¹ Zeegers-Huyskens, Th.²

60
- 35048891242
- R.W. Taft (Ed.), Progress in Physical Organic Chemistry, , Wiley, New York
- (1990) , vol.17 , pp. 209
- Gal, J.F.¹ Maria, P.C.²

61
- 0001836954
- (1995) J. Mol. Liquids , vol.67 , pp. 33
- Zeegers-Huyskens, Th.¹

62
- 33751172346
- (1998) J. Chem. Soc. Faraday Trans. , vol.94 , pp. 1277
- Nguyen, M.T.¹ Chandra, A.K.² Zeegers-Huyskens, Th.³

63
- 0001394051
- (1999) J. Phys. Chem. A , vol.103 , pp. 8853
- Chandra, A.K.¹ Nguyen, M.T.² Uchimaru, T.³ Zeegers-Huyskens, Th.⁴

64
- 0008091120
- (1966) Spectrochim. Acta , vol.22 , pp. 147
- Boobyer, G.J.¹ Orville-Thomas, W.J.²

65
- 0008044929
- (1992) J. Chem. Phys. , vol.97 , pp. 9928
- Mo, O.¹ Yanez, M.² Elguero, J.³

66
- 21144471831
- (1993) Chem. Phys. , vol.175 , pp. 271
- Van Duijneveldt-van de Rijdt, J.G.C.M.¹ Van Duijneveldt, F.B.²

67
- 33751158658
- (1994) J. Phys. Chem. , vol.98 , pp. 4271
- Ojamae, L.¹ Hermansson, K.²

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