SCOPUS 정보 검색 플랫폼

Volumn 272, Issue 1, 2001, Pages 47-59

Role of electronic polarization on the liquid phase affinity of calixarene - Crown-ethers towards alkali cations: A QM/MM molecular dynamics simulation

(5) Golebiowski, Jérôme a Lamare, Véronique a Martins Costa, Marilia T C b Millot, Claude b Ruiz López, Manuel F b

a IRFM (France)

b NANCY UNIVERSITÉ (France)

Author keywords

Alkali cations; Calixarene; Hybrid QM MM; Molecular dynamics; Polarization

Indexed keywords

ALKALI; CALIXARENE; CATION; CESIUM ION; CROWN ETHER; SODIUM ION;

ARTICLE; COMPLEX FORMATION; LIQUID; MOLECULAR DYNAMICS; POLARIZATION; PREDICTION AND FORECASTING; QUANTUM MECHANICS; SIMULATION;

EID: 0035478569 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/S0301-0104(01)00461-X Document Type: Article

Times cited : (11)

References (45)

1
- 0003408111
- Global 97
- Yokohama, Japan
- (1997) International Conference on Future Nuclear Systems , vol.706
- Viala, M.¹ Salvatores, M.² Mouney, H.³

2
- 0003073783
- (1997) Radiochim. Acta , vol.76 , pp. 103
- Haverlock, T.J.¹ Bonnesen, P.V.² Sachleben, R.A.³ Moyer, B.A.⁴

3
- 0000554456
- (1995) Anal. Chem. , vol.67 , pp. 3133
- Asfari, Z.¹ Bressot, C.² Vicens, J.³ Hill, C.⁴ Dozol, J.F.⁵ Rouquette, H.⁶ Eymard, S.⁷ Lamare, V.⁸ Tournois, B.⁹

4
- 85045783749
- (1999) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 271
- Lamare, V.¹ Dozol, J.F.² Fuangswasdi, S.³ Arnaud-Neu, F.⁴ Thuery, P.⁵ Nierlich, M.⁶ Asfari, Z.⁷ Vicens, J.⁸

5
- 0001297460
- (1998) Eur. J. Org. Chem. , pp. 1559
- Lamare, V.¹ Dozol, J.F.² Ugozzoli, F.³ Casnati, A.⁴ Ungaro, R.⁵

6
- 0030676363
- (1997) Sep. Sci. Technol. , vol.32 , pp. 175
- Lamare, V.¹ Bressot, C.² Dozol, J.F.³ Vicens, J.⁴ Asfari, Z.⁵ Ungaro, R.⁶ Casnati, A.⁷

7
- 85045588572
- (1997) Supramol. Chem. , vol.8 , pp. 319
- Thuery, P.¹ Nierlich, M.² Lamare, V.³ Dozol, J.F.⁴ Asfari, Z.⁵ Vicens, J.⁶

8
- 0001715780
- (1996) New J. Chem. , vol.20 , pp. 1183
- Asfari, Z.¹ Naumann, C.² Vicens, J.³ Nierlich, M.⁴ Thuery, P.⁵ Bressot, C.⁶ Lamare, V.⁷ Dozol, J.F.⁸

9
- 0007133402
- (1997) Chem. J. Soc.-Dalton Trans. , pp. 4191
- Thuery, P.¹ Nierlich, M.² Bryan, J.C.³ Lamare, V.⁴ Dozol, J.F.⁵ Asfari, Z.⁶ Vicens, J.⁷

10
- 84954649460
- (1995) Supramol. Chem. , vol.6 , pp. 187
- Wipff, G.¹ Lauterbach, M.²

11
- 0002461120
- G. Wipff (Ed.), Kluwer, Dordrecht
- (1994) Computational Approaches in Supramolecular Chemistry , pp. 319
- Wipff, G.¹ Troxler, L.²

12
- 0004124695
- L. Echegoyen, A. Kaifer (Eds.), Kluwer, Dordrecht
- (1996) Physical Supramolecular Chemistry , pp. 1
- Lauterbach, M.¹ Wipff, G.²

13
- 0000786422
- (1997) Gazz. Chim. Ital. , vol.127 , pp. 699
- Lauterbach, M.¹ Wipff, G.² Mark, A.³ Van Gunsteren, W.F.⁴

14
- 0001934411
- (1996) THEOCHEM - J. Mol. Struct. , vol.363 , pp. 67
- Varnek, A.¹ Wipff, G.²

15
- 0001752395
- (1996) Comput. Chem. , vol.17 , pp. 1520
- Varnek, A.¹ Wipff, G.J.²

16
- 0001885622
- G. Wipff (Ed.), Kluwer, The Netherlands
- (1994) Computational Approaches in Supramolecular Chemistry , pp. 277
- Ungaro, R.¹ Arduini, A.² Casnati, A.³ Ori, O.⁴ Pochini, A.⁵ Ugozzoli, F.⁶

17
- 0026453769
- (1992) Tetrahedron Lett. , vol.33 , pp. 7385
- Ikeda, A.¹ Shinkai, S.²

18
- 0003399682
- (1992) Tetrahedron Lett. , vol.33 , pp. 8417
- Ikeda, A.¹ Tsuzuki, H.² Shinkai, S.³

19
- 11944270178
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 4177
- Caldwell, J.W.¹ Kollman, P.A.²

20
- 4243468938
- (1997) Chem. Rev. , vol.97 , pp. 1303
- Ma, J.C.¹ Dougherty, D.A.²

21
- 0000453561
- (1994) Bull. Soc. Chim. Fr. , vol.131 , pp. 603
- Luhmer, M.¹ Bartik, K.² Dejaegere, A.³ Bovy, P.⁴ Reisse, J.⁵

22
- 84962367344
- K.B. Lipkowitz, D.B. Boyd (Eds.), VCH, New York
- (1996) Review in Computational Chemistry , vol.7 , pp. 119
- Gao, J.¹

23
- 0032568609
- (1998) Proc. Natl. Acad. Sci. USA , vol.95 , pp. 5976
- Cubero, E.¹ Luque, F.J.² Orozco, M.³

24
- 0242395926
- (1994) J. Phys. Chem. , vol.98 , pp. 10465
- Thompson, M.A.¹ Glendening, E.D.² Feller, D.³

25
- 0000196509
- (1987) J. Phys. Chem. , vol.87 , pp. 6269
- Berendsen, H.J.C.¹ Grigera, J.R.² Straastma, T.P.³

26
- 0003330472
- in press
- J. Comput. Chem.
- Golebiowski, J.¹ Lamare, V.² Ruiz-López, M.F.³

27
- 0004016501
- (1983) J. Chem. Phys. , vol.79 , pp. 926
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

28
- 84986513644
- (1990) J. Comput. Chem. , vol.11 , pp. 700
- Field, M.J.¹ Bash, P.A.² Karplus, M.³

29
- 0027125907
- (1992) Science , vol.258 , pp. 631
- Gao, J.¹ Xia, X.²

30
- 0001458468
- (1993) J. Phys. Chem. , vol.97 , pp. 11868
- Stanton, R.V.¹ Hartsough, D.S.² Merz K.M., Jr.³

31
- 84961974890
- (1997) J. Phys. Chem. A , vol.101 , pp. 3182
- Gao, J.¹ Freindorf, M.²

32
- 84990727004
- (1992) Int. J. Quant. Chem. , vol.44 , pp. 897
- Vasilyev, V.V.¹ Bliznyuk, A.A.² Voityuk, A.A.³

33
- 0031211688
- (1997) J. Phys. Chem. A , vol.101 , pp. 6125
- Hill, S.E.¹ Glendening, E.D.² Feller, D.³

34
- 0000969342
- (1999) J. Phys. Chem. A , vol.103 , pp. 1394
- Nicholas, J.B.¹ Hay, B.P.² Dixon, D.A.³

35
- 0344796204
- (1990) J. Phys. Chem. , vol.94 , pp. 8021
- Aqvist, J.¹

36
- 0001487260
- (1998) Mol. Phys. , vol.95 , pp. 549
- Pellenq, R.J.-M.¹ Nicholson, D.²

37
- 84944648082
- (1976) Act. Crystall. A , vol.32 , pp. 751
- Shannon, R.D.¹

38
- 0031236187
- (1997) J. Phys. Chem. A , vol.101 , pp. 7243
- Peng, Z.W.¹ Ewig, C.S.² Hwang, M.J.³ Waldman, M.⁴ Hagler, A.T.⁵

39
- 0003345852
- Z. Asfari, V. Böhmer, J. Harrowfield, J. Vicens (Eds.), Kluwer, Dordrecht
- (2001) Calix2001 , pp. 334
- Golebiowski, J.¹ Lamare, V.² Ruiz-López, M.F.³

40
- 0011286424
- TRIPOS Inc.
- (1994) SYBYL. 6.1, Molecular Modeling Software

41
- 0003484987
- Program performing Montre Carlo and MD simulations of systems composed of a subsystem described by a semiempirical method coupled to discrete solvent molecules interacting through a parameterized force field
- (1996) CHIMISTE/MM
- Martins Costa, M.T.C.¹ Millot, C.²

42
- 84986512474
- (1983) J. Comput. Chem. , vol.4 , pp. 187
- Brooks, B.R.¹ Burccoleri, R.E.² Olafson, B.D.³ States, D.J.⁴ Swaminathan, S.⁵ Karplus, M.⁶

43
- 48749148224
- (1983) J. Comput. Phys. , pp. 24
- Andersen, H.C.¹

44
- 0003593791
- London, UK
- (1992) Macmillan's Chemical and Physical Data
- James, A.M.¹ Lord, M.P.²

45
- 0029274588
- (1995) J. Phys. Chem. , vol.99 , pp. 4794
- Thompson, M.A.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.