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Journal of Molecular Structure: THEOCHEM

Volumn 529, Issue 1-3, 2000, Pages 99-112

A DFT investigation on effects of hydration on the tautomeric equilibria of hypoxanthine

(2) Shukla, M K a Leszczynski, J a

a JACKSON STATE UNIVERSITY (United States)

Author keywords

Density functional theory; Hydration; Hypoxanthine; Proton transfer; Tautomerism; Transition state

Indexed keywords

HYPOXANTHINE DERIVATIVE;

ANALYTIC METHOD; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; EQUILIBRIUM CONSTANT; GEOMETRY; HYDRATION; MATHEMATICAL ANALYSIS; PROTON TRANSPORT; STRUCTURE ANALYSIS;

EID: 0034623115 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00536-4 Document Type: Conference Paper

Times cited : (31)

References (62)

1
- 0343185563
- (1994) J. Mol. Struct. , vol.322 , pp. 113
- Smets, J.¹ Adamowicz, L.² Maes, G.³

2
- 33751156709
- (1995) J. Phys. Chem. , vol.99 , pp. 14967
- Buyl, F.¹ Smets, J.² Maes, G.³ Adamowicz, L.⁴

3
- 0000639897
- (1998) J. Phys. Chem. A , vol.102 , pp. 8157
- Smets, J.¹ Destexhe, A.² Adamowicz, L.³ Maes, G.⁴

4
- 0032572052
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 5024
- Gor, L.¹ Leszczynski, J.²

5
- 0033578609
- (1999) J. Mol. Struct. (Theochem) , vol.487 , pp. 47
- Gorb, L.¹ Podolyan, Y.² Leszczynski, J.³

6
- 0001476129
- (1998) Int. J. Quant. Chem. , vol.70 , pp. 855
- Gorb, L.¹ Leszczynski, J.²

7
- 0000021780
- (1997) Int. J. Quant. Chem. , vol.65 , pp. 759
- Gorb, L.¹ Leszczynski, J.²

8
- 33751386326
- (1993) J. Phys. Chem. , vol.97 , pp. 3520
- Leszczynski, J.¹

9
- 33748621478
- (1996) J. Phys. Chem. , vol.100 , pp. 5590
- Sponer, J.¹ Leszczynski, J.² Hobza, P.³

10
- 0001397543
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 7282
- Stewart, E.L.¹ Foley, C.K.² Allinger, N.L.³ Bowen, J.P.⁴

11
- 0011009709
- (1994) J. Mol. Struct. (Theochem) , vol.311 , pp. 37
- Leszczynski, J.¹

12
- 0031192417
- (1997) J. Phys. Chem. A , vol.101 , pp. 5383
- Baerends, E.J.¹ Gritsenko, O.V.²

13
- 0000468340
- (1999) J. Phys. Chem. A , vol.103 , pp. 2744
- Gu, J.¹ Leszczynski, J.²

14
- 0000236222
- (1997) Int. J. Quant. Chem. , vol.61 , pp. 453
- Kwiatkowski, J.S.¹ Leszczynski, J.²

15
- 0030545257
- (1996) Chem. Phys. , vol.204 , pp. 301
- Bakalarski, G.¹ Grochowski, P.² Kwiatkowski, J.S.³ Lesyng, B.⁴ Leszczynski, J.⁵

16
- 0001054439
- (1998) J. Mol. Struct. (Theochem) , vol.426 , pp. 307
- Aamouche, A.¹ Berthier, G.² Cadioli, B.³ Gallinella, E.⁴ Ghomi, M.⁵

17
- 0000440933
- (1999) J. Phys. Chem. A , vol.103 , pp. 8716
- Leulliot, N.¹ Ghomi, M.² Scalmani, G.³ Berthier, G.⁴

18
- 0001394051
- (1999) J. Phys. Chem. A , vol.103 , pp. 8853
- Chandra, A.K.¹ Nguyen, M.T.² Uchimaru, T.³ Zeegers-Huyskens, T.⁴

19
- 0041438188
- (1997) J. Mol. Struct. (Theochem) , vol.390 , pp. 11
- Berthier, G.¹ Cadioli, B.² Gallinella, E.³ Aamouche, A.⁴ Ghomi, M.⁵

20
- 0001672199
- (1996) J. Phys. Chem. , vol.100 , pp. 5224
- Aamouche, A.¹ Ghomi, M.² Coulombeau, C.³ Jobic, H.⁴ Grajcar, L.⁵ Baron, M.H.⁶ Baumruk, V.⁷ Turpin, P.Y.⁸ Henriet, C.⁹ Berthier, G.¹⁰

21
- 0031285832
- (1997) Theor. Chem. Acc. , vol.97 , pp. 195
- Leszczynski, J.¹ Goodman, L.² Kwiatkowski, J.S.³

22
- 0000410149
- (1998) J. Comput. Chem. , vol.19 , pp. 575
- Paizs, B.¹ Suhai, S.²

23
- 0011824888
- (1996) J. Phys. Chem. , vol.100 , pp. 1965
- Sponer, J.¹ Leszczynski, J.² Hobza, P.³

24
- 33751172346
- (1998) J. Chem. Soc. Faraday Trans. , vol.94 , pp. 1277
- Ngyuen, M.T.¹ Chandra, A.K.² Zeegers-Huyskens, Th.³

25
- 0001156053
- (1996) J. Phys. Chem. , vol.100 , pp. 14655
- Smets, J.¹ McCarthy, M.J.² Adamowicz, L.³

26
- 0030545257
- (1996) Chem. Phys. , vol.204 , pp. 301
- Bakalarski, G.¹ Grochowski, P.² Kwiatkowski, J.S.³ Lesyng, B.⁴ Leszczynski, J.⁵

27
- 0000974033
- (1999) J. Phys. Chem. A , vol.103 , pp. 8516
- Kawahara, S.¹ Wada, T.² Kawauchi, S.³ Uchimam, T.⁴ Sekine, M.⁵

28
- 0008040611
- Biochemistry, 3rd ed., Freeman, New York
- (1988)
- Stryer, L.¹

29
- 0001195354
- (1965) Science , vol.147 , pp. 1462
- Holley, R.W.¹ Apgar, J.² Everett, G.A.³ Madison, J.T.⁴ Marquisee, M.⁵ Merrill, S.H.⁶ Penswick, J.R.⁷ Zamir, A.⁸

30
- 0008134450
- (1965) Biochim. Biophys. Acta , vol.108 , pp. 194
- Dutting, D.¹ Karau, W.² Melchers, F.³ Zachau, H.G.⁴

31
- 0008085204
- (1967) Biochim. Biophys. Acta , vol.134 , pp. 484
- Grunberger, D.¹ Holy, A.² Sorm, F.³

32
- 84961985212
- (1996) J. Org. Chem. , vol.61 , pp. 5964
- Hernandez, B.¹ Luque, F.J.² Orozco, M.³

33
- 0000613129
- (1993) J. Mol. Struct. (Theochem) , vol.279 , pp. 173
- Nonella, M.¹ Hanggi, G.² Dubler, E.³

34
- 0031245213
- (1997) J. Phys. Chem. A , vol.101 , pp. 8309
- Costas, M.E.¹ Acevedo-Chavez, R.²

35
- 0001248613
- (1980) J. Phys. Chem. , vol.84 , pp. 1006
- Lin, J.¹ Yu, C.² Peng, S.³ Akiyama, I.⁴ Li, K.⁵ Lee, L.K.⁶ LeBreton, P.R.⁷

36
- 0000072689
- (1987) J. Mol. Struct. , vol.158 , pp. 275
- Sheina, G.G.¹ Stepanian, S.G.² Radchenko, E.D.³ Blagoi, Yu.P.⁴

37
- 0001308970
- (1996) J. Mol. Struct. (Theochem) , vol.366 , pp. 185
- El-Bakali Kassimi, N.¹ Thakkar, A.J.²

38
- 0014682999
- (1969) Biochim. Biophys. Acta , vol.179 , pp. 10
- Kyogoku, Y.¹ Lord, R.C.² Rich, A.³

39
- 84986430974
- (1989) Bull. Chem. Soc. Jpn , vol.62 , pp. 2441
- Ohta, Y.¹ Nishimoto, K.² Tanaka, H.³ Baba, Y.⁴ Kagemoto, A.⁵

40
- 0014948827
- (1970) Acta Crystallogr. B , vol.26 , pp. 1101
- Munns, A.R.I.¹ Tollin, P.²

41
- 84987339816
- (1972) Isr. J. Chem. , vol.10 , pp. 805
- Lichtenberg, D.¹ Bergmann, F.² Neiman, Z.³

42
- 0016844487
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 4636
- Chenon, M.T.¹ Pugmire, R.J.² Grant, D.M.³ Panzica, R.P.⁴ Townsend, L.B.⁵

43
- 0001131173
- (1995) Struct. Chem. , vol.6 , pp. 281
- Sponer, J.¹ Leszczynski, J.²

44
- 0000642972
- (1994) J. Mol. Struct. , vol.324 , pp. 241
- Shukla, M.K.¹ Mishra, P.C.²

45
- 4244184231
- (1998) J. Phys. Chem. , vol.102 A , pp. 2357
- Leszczynski, J.¹

46
- 77956679639
- J. Leszczynski (Ed.), Computational molecular biology, Theoretical Computational Chemistry, vol. 8, Elsevier, Amsterdam
- (1999) , pp. 167
- Gorb, L.¹ Leszczynski, J.²

47
- 0028823008
- (1995) Biophys. J. , vol.69 , pp. 2661
- Schneider, B.¹ Berman, H.²

48
- 0000495736
- (1998) Chem. Phys. Lett. , vol.285 , pp. 337
- Chahinian, M.¹ Seba, H.B.² Ancian, B.³

49
- 0026896780
- (1992) Biopolymers , vol.32 , pp. 725
- Schneider, B.¹ Cohen, D.² Barman, H.³

50
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

51
- 0345491105
- (1988) Phys. Rev. , vol.37 B , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

52
- 0008087126
- Exploring Chemistry with Electronic Structure Methods 2nd ed., Gaussian Inc, Pittsburgh, PA
- (1996)
- Foresman, J.B.¹ Frisch, A.²

55
- 0001526180
- (2000) J. Phys. Chem. , vol.104 A , pp. 3021
- Shukla, M.K.¹ Leszczynski, J.²

56
- 0017419259
- (1977) J. Chem. Soc. Perkin Trans. I , pp. 757
- Skaric, V.¹ Lacan, G.² Skaric, D.³

57
- 0008038066
- (1971) Discuss. Faraday Soc. , vol.51 , pp. 73
- Thomas, J.M.¹ Evans, J.R.N.² Lewis, T.J.³

58
- 11644266970
- 1841, 2338, 2343
- (1955) J. Chem. Phys. , vol.23 , pp. 1833
- Mulliken, R.S.¹

59
- 0000359106
- (1999) J. Chem. Phys. , vol.111 , pp. 2086
- Sadeghi, R.R.¹ Cheng, H.-P.²

60
- 0029646568
- (1995) Nature (London) , vol.378 , pp. 260
- Douhal, A.¹ Kim, S.K.² Zewail, A.H.³

61
- 84890021933
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

62
- 4043140107
- (1987) J. Mol. Struct. , vol.156 , pp. 119
- Aaron, J.-J.¹ Gaye, M.D.² Parkanyi, C.³ Cho, N.S.⁴ Szentpaly, L.V.⁵

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