SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 115, Issue 23, 2001, Pages 10636-10646

Making use of Connolly's molecular surface program in the isodensity adapted polarizable continuum model

(2) Höfinger, Siegfried a Steinhauser, Othmar a

a UNIVERSITY OF VIENNA (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL REACTIONS; COMPUTATIONAL METHODS; COMPUTER AIDED SOFTWARE ENGINEERING; COMPUTER SIMULATION; CONTINUUM MECHANICS; ELECTRONIC DENSITY OF STATES; FREE ENERGY; PROBES; VAN DER WAALS FORCES;

CONNOLLY MOLECULAR SURFACE PROGRAM; GAUSS THEOREM; ISODENSITY ADAPTED POLARIZABLE CONTINUUM MODEL; SOLVATION;

MOLECULAR DYNAMICS;

EID: 0035894462 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1421365 Document Type: Article

Times cited : (4)

References (48)

1
- 0029016182
- (1995) Science , vol.268 , pp. 1144
- Honig, B.¹ Nicholls, A.²

2
- 0018456521
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 1913
- Rossky, P.J.¹ Karplus, M.²

3
- 0004016501
- (1983) J. Phys. Chem. , vol.79 , pp. 926
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

4
- 0004504539
- (1985) J. Chem. Phys. , vol.83 , pp. 3050
- Jorgensen, W.L.¹ Ravimohan, C.J.²

5
- 0004179874
- (Wiley, New York)
- (1975) Classical Electrodynamics
- Jackson, J.D.¹

6
- 0003724744
- (Pergamon, Oxford)
- (1960) Electrodynamics of Continuous Media
- Landau, L.D.¹ Lifshitz, E.M.²

7
- 0003570657
- (Clarendon, Oxford)
- (1958) Theory of Dielectrics
- Fröhlich, H.¹

8
- 0003397206
- (Elsevier, Amsterdam)
- (1973) Theory of Electric Polarization, 2nd Ed. , vol.1
- Böttcher, C.J.F.¹ Van Belle, O.C.² Bordewijk, P.³ Rip, A.⁴

9
- 0020475509
- (1982) J. Mol. Biol. , vol.157 , pp. 671
- Warwicker, J.¹ Watson, H.C.²

10
- 0842330182
- (1998) J. Chem. Phys. , vol.108 , pp. 6117
- Hünenberger, P.H.¹ Van Gunsteren, W.F.²

11
- 0000421017
- (1999) J. Chem. Phys. , vol.111 , pp. 8271
- Boresch, S.¹ Steinhauser, O.²

12
- 34250928962
- (1920) Z. Phys. , vol.1 , pp. 45
- Born, M.¹

13
- 20644431615
- (1934) J. Chem. Phys. , vol.2 , pp. 351
- Kirkwood, J.G.¹

14
- 0000261537
- (1936) Electric Moments in Liquids , vol.58 , pp. 1486
- Onsager, L.¹

15
- 0542382495
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4776
- Wong, M.L.¹ Frisch, J.M.² Wiberg, K.B.³

16
- 0000506936
- (1994) J. Phys. Chem. , vol.98 , pp. 5034
- Dillet, V.¹ Rinaldi, D.² Rivail, J.L.³

17
- 0021107965
- (1983) Science , vol.221 , pp. 709
- Connolly, M.L.¹

18
- 84946893847
- (1981) Chem. Phys. , vol.55 , pp. 117
- Miertus, S.¹ Scrocco, E.² Tomasi, J.³

19
- 84961981991
- (1997) J. Chem. Phys. , vol.107 , pp. 3210
- Barone, V.¹ Cossi, M.² Tomasi, J.³

20
- 1542356431
- (1996) J. Phys. Chem. , vol.100 , pp. 16098
- Foresman, J.B.¹ Keith, T.A.² Wiberg, K.B.³ Snoonian, J.⁴ Frisch, M.J.⁵

21
- 0003495717
- (Oxford University Press, Oxford)
- (1990) Atoms in Molecules
- Bader, R.F.W.¹

22
- 84961980743
- (1993) J. Chem. Soc., Perkin Trans. , vol.2 , pp. 799
- Klamt, A.¹ Schürmann, G.²

23
- 0031187388
- (1997) J. Phys. Chem. , vol.101 , pp. 5583
- Florian, J.¹ Warshal, A.²

24
- 33748905333
- (1996) J. Phys. Chem. , vol.100 , pp. 16385
- Chambers, C.C.¹ Hawkins, G.D.² Cramer, C.J.³ Truhlar, D.G.⁴

25
- 0007722962
- (2000)
- Connolly, M.L.¹

26
- 0007829029
- Protein Data Bank, PDB, database, Brookhaven National Laboratory
- (1998)

27
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- (1998) GAUSSIAN 98
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

28
- 84988109711
- (1987) J. Comput. Chem. , vol.8 , pp. 778
- Pascual-Ahuir, J.L.¹ Silla, E.² Tomasi, J.³ Bonaccorsi, R.⁴

29
- 84962428785
- (1998) J. Comput. Chem. , vol.19 , pp. 404
- Barone, V.¹ Cossi, M.² Tomasi, J.³

30
- 0007722284
- (1999) Lect. Notes Comput. Sci. , vol.1557 , pp. 163
- Höfinger, S.¹ Steinhauser, O.² Zinterhof, P.³

31
- 9944232242
- (1981) J. Solution Chem. , vol.10 , pp. 563
- Cabani, S.¹ Mollica, G.² Lepori, V.³

32
- 33845374932
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 6109
- Pearson, R.G.¹

33
- 84961986849
- (1994) J. Chem. Phys. , vol.100 , pp. 7495
- Cammi, R.¹ Tomasi, J.²

34
- 84962382606
- (1994) J. Chem. Phys. , vol.101 , pp. 3888
- Cammi, R.¹ Tomasi, J.²

35
- 84962359221
- (1996) Chem. Phys. Lett. , vol.255 , pp. 327
- Cossi, M.¹ Barone, V.² Cammi, R.³ Tomasi, J.⁴

36
- 0031209054
- (1997) J. Chem. Phys. , vol.107 , pp. 3032
- Cances, E.¹ Menucci, B.² Tomasi, J.³

37
- 84961985847
- (1998) J. Phys. Chem. , vol.102 , pp. 1995
- Barone, V.¹ Cossi, M.²

38
- 11744256643
- (1994) Chem. Rev. , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

39
- 33746614482
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning Jr., T.H.¹

40
- 3843146349
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning Jr., T.H.²

41
- 0007774828
- (2000) J. Comput. Inf. Techn. , vol.8 , Issue.1 , pp. 19
- Höfinger, S.¹ Steinhauser, O.² Zinterhof, P.³

42
- 0007722632
- (2001) Lect. Notes Comput. Sci. , vol.2074 , pp. 801
- Höfinger, S.¹

43
- 0007823476
- (unpublished)
- Saxe, J.D.¹

44
- 4244193654
- (1976) Chem. Rev. , vol.76 , pp. 719
- Pierotti, R.A.¹

45
- 84986533294
- (1991) J. Comput. Chem. , vol.12 , pp. 784
- Floris, F.M.¹ Tomasi, J.² Pascual-Ahuir, J.L.³

46
- 84944811623
- (1975) Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. , vol.31 , pp. 448
- Caillet, J.¹ Claverie, P.²

47
- 0007821437
- (personal communication)
- (1999)
- Tomasi, J.¹

48
- 0001642299
- (1998) J. Chem. Phys. , vol.108 , pp. 177
- Zahn, C.G.¹ Bentley, J.² Chipman, D.M.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.