SCOPUS 정보 검색 플랫폼

International Journal of Quantum Chemistry

Volumn 48, Issue 27 S, 1993, Pages 451-466

Success and pitfalls of the dielectric continuum model in quantum chemical calculations

(3) De Vries, Alex H a Van Duijnen, Piet Th a Juffer, André H a,b

a UNIVERSITY OF GRONINGEN (Netherlands)

b EMBLHeidelberg ^* (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84987068209 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.560480844 Document Type: Article

Times cited : (32)

References (41)

1
- 33845283355
- (1987) J. Phys. Chem. , vol.91 , pp. 3081
- Mikkelsen, K.V.¹ Dalgaard, E.² Swanstrøm, P.³

2
- 84946893847
- (1981) Chem. Phys. , vol.55 , pp. 117
- Miertuš, S.¹ Scrocco, E.² Tomasi, J.³

3
- 36549101019
- (1988) J. Chem. Phys. , vol.89 , pp. 3086
- Mikkelsen, K.V.¹ Ågren, H.² Aa Jensen, H.J.³ Helgaker, T.⁴

4
- 0542382495
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4776
- Wong, M.W.¹ Frisch, M.J.² Wiberg, K.B.³

5
- 0346788232
- (1992) J. Mol. Struct. (Theochem) , vol.260 , pp. 195
- van Duijnen, P.Th.¹ Juffer, A.H.² Dijkman, J.P.³

6
- 0000221380
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 8305
- Cramer, C.J.¹ Truhlar, D.G.²

7
- 84990662759
- Reaction field effects on the electronic structure of carbon radical and ionic centers
- (1990) International Journal of Quantum Chemistry , vol.37 , pp. 1
- Karelson, M.M.¹ Tamm, T.² Katritzky, A.R.³ Szefran, M.⁴ Zerner, M.C.⁵

8
- 84988110397
- The rigorous computation of the molecular electric potential
- (1988) Journal of Computational Chemistry , vol.9 , pp. 171
- Zauhar, R.J.¹ Morgan, R.S.²

9
- 84988087911
- Calculating the electrostatic potential of molecules in solution: Method and error assessment
- (1988) Journal of Computational Chemistry , vol.9 , pp. 327
- Gilson, M.K.¹ Sharp, K.A.² Honig, B.H.³

10
- 0002334742
- (1991) J. Comput. Phys. , vol.97 , pp. 144
- Juffer, A.H.¹ Botta, E.F.F.² Van Keulen, B.A.M.³ van der Ploeg, A.⁴ Berendsen, H.J.C.⁵

11
- 0003397206
- 2nd ed., Elsevier, Amsterdam
- (1973) Theory of Electric Polarisation
- Böttcher, C.J.F.¹

12
- 85022423714
- Electrostatic contributions to solvation energies: comparison of free energy perturbation and continuum calculations
- (1991) Journal of the American Chemical Society , vol.113 , pp. 1454
- Jean‐Charles, A.¹ Nicholls, A.² Sharp, K.³ Honig, B.⁴ Tempczyk, A.⁵ Hendrickson, T.F.⁶ Still, W.C.⁷

13
- 0001194914
- Analysis of discrete and continuum dielectric models; application to the calculation of protonation energies in solution
- (1987) Molecular Physics , vol.61 , pp. 293
- Rullmann, J.A.C.¹ van Duijnen, P.Th.²

14
- 0342743961
- A polarizable water model for calculation of hydration energies
- (1988) Molecular Physics , vol.63 , pp. 451
- Rullmann, J.A.C.¹ van Duijnen, P.Th.²

15
- 0026689313
- (1992) Biophys. Chem. , vol.43 , pp. 139
- de Vries, A.H.¹ van Duijnen, P.Th.²

16
- 0003895523
- 2nd ed., Academic, London, Chap. 14.
- (1992) Methods of Molecular Quantum Mechanics
- McWeeny, R.¹

17
- 0041339010
- (1990) CRC Rep. Mol. Theory , vol.1 , pp. 1
- Rullmann, J.A.C.¹ van Duijnen, P.Th.²

18
- 84987061513
- Ph.D. Thesis, University of Groningen, SYMOL
- (1974)
- van der Velde, G.A.¹

19
- 84987113263
- Ph.D. Thesis, University of Groningen, GNOME.
- (1981)
- Broer, R.¹

20
- 0000161809
- (1981) Chem. Phys. , vol.59 , pp. 341
- Thole, B.T.¹

21
- 0001303934
- (1982) Chem. Phys. , vol.71 , pp. 211
- Thole, B.T.¹ van Duijnen, P.Th.²

22
- 0346235963
- (1983) Theor. Chim. Acta , vol.63 , pp. 209
- Thole, B.T.¹ van Duijnen, P.Th.²

23
- 0004179874
- 2nd ed., Wiley, New York, Chap. 6.
- (1975) Classical Electrodynamics
- Jackson, J.D.¹

24
- 0343791148
- (1936) J. Am. Chem. Soc. , vol.58 , pp. 1486
- Onsager, L.¹

25
- 0021107965
- (1983) Science , vol.221 , pp. 709
- Connolly, M.L.¹

26
- 0642342827
- (1982) Science , vol.217 , pp. 1033
- Narten, A.H.¹ Thiessen, W.E.² Blum, L.³

27
- 84987091924
- Mol. Phys.
- Juffer, A.H.¹ Berendsen, H.J.C.²

28
- 0004251709
- Wiley, New York
- (1944) Quantum Chemistry
- Eyring, H.¹ Walter, J.² Kimball, G.E.³

29
- 33747754400
- (1976) Chem. Rev. , vol.76 , pp. 717
- Pierotti, R.A.¹

30
- 0003564875
- E. Clementi, ESCOM, Leiden, Chap. 8.
- (1991) Modern Techniques in Computational Chemistry
- Dupuis, M.¹ Maluendes, S.A.²

31
- 84986512474
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
- (1983) Journal of Computational Chemistry , vol.4 , pp. 187
- Brooks, B.R.¹ Bruccoleri, R.E.² Olafson, B.D.³ Staes, D.J.⁴ Swaminathan, S.⁵ Karplus, M.⁶

32
- 0001760538
- (1980) Theor. Chim. Acta , vol.55 , pp. 307
- Thole, B.T.¹ van Duijnen, P.Th.²

33
- 3342882069
- (1990) Chem. Phys. Lett. , vol.175 , pp. 313
- Ángyan, J.G.¹ Jansen, G.²

34
- 0003518711
- VCH, New York
- (1990) Chemical Kinetics, The Study of Reaction Rates in Solution , pp. 421
- Connors, K.A.¹

35
- 0011677870
- (1977) Theor. Chim. Acta , vol.46 , pp. 39
- Mulder, F.¹ van Hemert, M.C.² Wormer, P.E.S.³ van der Avoird, A.⁴

36
- 0018434452
- (1979) Angew. Chem. Int. Ed. Eng. , vol.18 , pp. 98
- Reichardt, C.¹

37
- 0002608892
- (1965) Spectrochim. Acta , vol.21 , pp. 529
- Hayes, W.P.¹ Timmons, C.J.²

38
- 0000562795
- (1991) J. Mol. Struct. (Theochem) , vol.234 , pp. 425
- Ågren, H.¹ Mikkelsen, K.V.²

39
- 2642541467
- (1992) J. Phys. Chem. , vol.96 , pp. 6949
- Karelson, M.M.¹ Zerner, M.C.²

40
- 0000143634
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10508
- Kim, H.J.¹ Hynes, J.T.²

41
- 1442290753
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 1078
- Wiberg, K.B.¹ Wong, M.W.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.