SCOPUS 정보 검색 플랫폼

Physical Chemistry Chemical Physics

Volumn 4, Issue 21, 2002, Pages 5281-5288

Solvation effects on equilibria: Triazoles and N-methyl piperidinol

(5) Murdock, Stuart E a Lynden Bell, R M a Kohanoff, J a Margulis, C J b Sexton, Graham J c

a QUEEN'S UNIVERSITY BELFAST (United Kingdom)

b Och Spine at New York Presbyterian Hospitals (United States)

c JEALOTT S HILL INTERNATIONAL RESEARCH CENTRE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

N METHYLPIPERIDINOL; PIPERIDINE DERIVATIVE; TRIAZOLE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; DENSITY; EQUILIBRIUM CONSTANT; HYDRATION; HYDROGEN BOND; MODEL; SOLVATION; THERMODYNAMICS;

EID: 0036974851 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b203429h Document Type: Article

Times cited : (11)

References (36)

1
- 0036086836
- S. E. Murdock, R. M. Lynden-Bell, J. Kohanoff and G. J. Sexton, Phys. Chem. Chem. Phys., 2002, 4, 3016.
- (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 3016
- Murdock, S.E.¹ Lynden-Bell, R.M.² Kohanoff, J.³ Sexton, G.J.⁴

2
- 0000641342
- R. H. Wood, E. M. Yezdimer, S. Sakane, J. A. Barriocanal and D. J. Doren, J. Chem. Phys., 1999, 110, 1329.
- (1999) J. Chem. Phys. , vol.110 , pp. 1329
- Wood, R.H.¹ Yezdimer, E.M.² Sakane, S.³ Barriocanal, J.A.⁴ Doren, D.J.⁵

3
- 0000539134
- G. Hummer, L. R. Pratt and A. E. Garcia, J. Phys. Chem. A, 1998, 102, 7885.
- (1998) J. Phys. Chem. A , vol.102 , pp. 7885
- Hummer, G.¹ Pratt, L.R.² Garcia, A.E.³

4
- 0000518047
- W. D. Cornell, P. C. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, Jr., D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell and P. A. Kollman, J. Am. Chem. Soc., 1995, 117, 517.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 517
- Cornell, W.D.¹ Cieplak, P.C.² Bayly, C.I.³ Gould, I.R.⁴ Merz K.M., Jr.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.W.⁹ Kollman, P.A.¹⁰

5
- 1242346370
- H. J. C. Berendsen, J. R. Grigera and T. P. Straatsma, J. Phys. Chem., 1987, 91, 6269.
- (1987) J. Phys. Chem. , vol.91 , pp. 6269
- Berendsen, H.J.C.¹ Grigera, J.R.² Straatsma, T.P.³

6
- 52449129124
- University of Minnesota, Minneapolis
- G. D. Hawkins, D. J. Giesen, G. C. Lynch, C. C. Chambers, I. Rossi, J. W. Storer, J. Li, T. Zhu, P. Winget, D. Rinaldi, D. A. Liotard, C. J. Cramer and D. G. Truhlar, AMSOL, University of Minnesota, Minneapolis, http://comp.chem.umn.edu/WWW/AMSOL/.
- AMSOL
- Hawkins, G.D.¹ Giesen, D.J.² Lynch, G.C.³ Chambers, C.C.⁴ Rossi, I.⁵ Storer, J.W.⁶ Li, J.⁷ Zhu, T.⁸ Winget, P.⁹ Rinaldi, D.¹⁰ Liotard, D.A.¹¹ Cramer, C.J.¹² Truhlar, D.G.¹³

7
- 85052507481
- Clarendon Press, Oxford
- M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1994.
- (1994) Computer Simulation of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

8
- 85033053816
- Stef, Cagliari
- D. A. Estrin, G. Corongiu and E. Clementi, METECC, Methods and Techniques in Computational Chemistry, Stef, Cagliari, 1993.
- (1993) METECC, Methods and Techniques in Computational Chemistry
- Estrin, D.A.¹ Corongiu, G.² Clementi, E.³

9
- 0031555471
- D. A. Estrin, J. Kohanoff, D. H. Laria and R. O. Weht, Chem. Phys. Lett., 1997, 280, 280.
- (1997) Chem. Phys. Lett. , vol.280 , pp. 280
- Estrin, D.A.¹ Kohanoff, J.² Laria, D.H.³ Weht, R.O.⁴

10
- 0001974286
- N. Godbout, D. R. Salahub, J. Andzelm and E. Wimmer, Can. J. Chem., 1992, 70, 760.
- (1992) Can. J. Chem. , vol.70 , pp. 760
- Godbout, N.¹ Salahub, D.R.² Andzelm, J.³ Wimmer, E.⁴

11
- 4243553426
- A. D. Becke, Phys. Rev. A, 1988, 38, 3098.
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

12
- 0345491105
- C. Lee, W. Yang and R. G. Parr, Phys. Rev. B, 1988, 37, 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

13
- 16444375810
- B. G. Johnson, P. M. W. Gill and J. A. Pople, J. Chem. Phys., 1993, 98, 5612.
- (1993) J. Chem. Phys. , vol.98 , pp. 5612
- Johnson, B.G.¹ Gill, P.M.W.² Pople, J.A.³

14
- 84870726202
- Academic Press, New York
- D. Frenkel and B. Smit, Understanding Molecular Simulation, Academic Press, New York, 1996.
- (1996) Understanding Molecular Simulation
- Frenkel, D.¹ Smit, B.²

15
- 0000659582
- (a) K. Bolton, R. D. Brown, F. R. Burden and A. Mishra, J. Mol. Struct., 1975, 27, 261;
- (1975) J. Mol. Struct. , vol.27 , pp. 261
- Bolton, K.¹ Brown, R.D.² Burden, F.R.³ Mishra, A.⁴

16
- 37049134223
- (b) K. Bolton, R. D. Brown, F. R. Burden and A. Mishra, Chem. Commun., 1971, 873.
- (1971) Chem. Commun. , pp. 873
- Bolton, K.¹ Brown, R.D.² Burden, F.R.³ Mishra, A.⁴

17
- 0003517669
- M. H. Palmer, I. Simpson and J. R. Wheller, Z. Naturforsch, A, 1981, 36, 1246.
- (1981) Z. Naturforsch. A , vol.36 , pp. 1246
- Palmer, M.H.¹ Simpson, I.² Wheller, J.R.³

18
- 84882303007
- and references therein
- M. H. Palmer, I. Simpson and J. R. Wheller, Z. Naturforsch, A, 1981, 36, 34, and references therein.
- (1981) Z. Naturforsch A , vol.36 , pp. 34
- Palmer, M.H.¹ Simpson, I.² Wheller, J.R.³

19
- 0000813639
- M. Begtrup, C. J. Nielsen, L. Nygaard, S. Samdal, C. E. Sjøgren and G. O. Sørensen, Acta Chem. Scand., Ser. A, 1988, 42, 500.
- (1988) Acta Chem. Scand. Ser. A , vol.42 , pp. 500
- Begtrup, M.¹ Nielsen, C.J.² Nygaard, L.³ Samdal, S.⁴ Sjøgren, C.E.⁵ Sørensen, G.O.⁶

20
- 37049109519
- L. Lunazzi, F. Parisi and D. Macciantelli, J. Chem. Soc., Perkin Trans. 2, 1984, 1025.
- (1984) J. Chem. Soc., Perkin Trans. 2 , pp. 1025
- Lunazzi, L.¹ Parisi, F.² Macciantelli, D.³

21
- 0001460974
- (a) D. S. Wofford, D. M. Forkey and J. G. Russell, J. Org. Chem., 1982, 47, 5132;
- (1982) J. Org. Chem. , vol.47 , pp. 5132
- Wofford, D.S.¹ Forkey, D.M.² Russell, J.G.³

22
- 84986770367
- (b) E. Bojarska, L. Stefaniak, M. Witanowski, B. T. Hamdi and G. A. Webb, Magn. Reson. Chem., 1985, 23, 166.
- (1985) Magn. Reson. Chem. , vol.23 , pp. 166
- Bojarska, E.¹ Stefaniak, L.² Witanowski, M.³ Hamdi, B.T.⁴ Webb, G.A.⁵

23
- 0001600955
- and references therein
- E. Fos, J. Vilarrasa and J. Fernandez, J. Org. Chem., 1985, 50, 4894, and references therein.
- (1985) J. Org. Chem. , vol.50 , pp. 4894
- Fos, E.¹ Vilarrasa, J.² Fernandez, J.³

24
- 0002276684
- ed. A. R. Katritzky, A. J. Boulton, Academic Press New York
- T. L. Gilchrist and G. E. Gymer, in Advances in Heterocyclic Chemistry, ed. A. R. Katritzky, A. J. Boulton, 1974, Academic Press, New York, vol. 16, p. 33.
- (1974) Advances in Heterocyclic Chemistry , vol.16 , pp. 33
- Gilchrist, T.L.¹ Gymer, G.E.²

25
- 37049068708
- A. Albert and J. P. Taylor, J. Chem. Soc., Perkin Trans. 2, 1989, 1903.
- (1989) J. Chem. Soc., Perkin Trans. 2 , pp. 1903
- Albert, A.¹ Taylor, J.P.²

26
- 0000387893
- W. Witanowski, L. S. Stefaniak, H. Januszewski, Z. Grabowski and G. A. Webb, Tetrahedron, 1972, 28, 637.
- (1972) Tetrahedron , vol.28 , pp. 637
- Witanowski, W.¹ Stefaniak, L.S.² Januszewski, H.³ Grabowski, Z.⁴ Webb, G.A.⁵

27
- 36749119052
- M. Mezei and D. L. Beveridge, J. Chem. Phys., 1981, 74, 622.
- (1981) J. Chem. Phys. , vol.74 , pp. 622
- Mezei, M.¹ Beveridge, D.L.²

28
- 51149211502
- F. H. Stillinger and A. Rahman, J. Chem. Phys., 1974, 60, 1545.
- (1974) J. Chem. Phys. , vol.60 , pp. 1545
- Stillinger, F.H.¹ Rahman, A.²

29
- 26844512382
- A. G. Kalinchev and J. D. Bass, Chem. Phys. Lett., 1994, 231, 301.
- (1994) Chem. Phys. Lett. , vol.231 , pp. 301
- Kalinchev, A.G.¹ Bass, J.D.²

30
- 0034158631
- D. L. Bergman, Chem. Phys., 2000, 253, 267.
- (2000) Chem. Phys. , vol.253 , pp. 267
- Bergman, D.L.¹

31
- 0000143159
- R. L. Mancera and A. D. Buckingham, J. Phys. Chem., 1995, 99, 14 632.
- (1995) J. Phys. Chem. , vol.99 , pp. 14632
- Mancera, R.L.¹ Buckingham, A.D.²

32
- 0000660151
- P. I. Nagy, G. J. Durant and D. A. Smith, J. Am. Chem. Soc., 1993, 115, 2912.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 2912
- Nagy, P.I.¹ Durant, G.J.² Smith, D.A.³

33
- 0003926839
- Wiley, Chichester
- F. Jensen, Introduction to Computational Chemistry, Wiley, Chichester, 1999.
- (1999) Introduction to Computational Chemistry
- Jensen, F.¹

34
- 0343791148
- L. Onsager, J. Am. Chem. Soc., 1936, 58, 1486.
- (1936) J. Am. Chem. Soc. , vol.58 , pp. 1486
- Onsager, L.¹

35
- 0001440875
- T. Zhu, J. Li, G. D. Hawkins, C. J. Cramer and D. G. Truhlar, J. Chem. Phys., 1998, 109, 9117.
- (1998) J. Chem. Phys. , vol.109 , pp. 9117
- Zhu, T.¹ Li, J.² Hawkins, G.D.³ Cramer, C.J.⁴ Truhlar, D.G.⁵

36
- 0842341771
- M. J. S. Dewar, E. G. Zoebisch, E. F. Healy and J. P. Stewart, J. Am. Chem. Soc., 1985, 107, 3902.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.P.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.