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Journal of Molecular Structure: THEOCHEM

Volumn 580, Issue 1-3, 2002, Pages 137-145

Hydration structures of the squarate dianion C4O42-. A combined molecular dynamics simulation and quantum ab initio study

(3) Martins, Lucimara R a Vazquez, Pedro A M a Skaf, Munir S a

a UNIVERSITY OF CAMPINAS (Brazil)

Author keywords

Ab Initio; Hydration structures; Molecular dynamics; Oxocarbons

Indexed keywords

ANION; OXOCARBON; SOLVENT; SQUARIC ACID; UNCLASSIFIED DRUG; WATER;

AB INITIO CALCULATION; AQUEOUS SOLUTION; CHEMICAL STRUCTURE; CONFERENCE PAPER; HYDRATION; HYDROGEN BOND; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SIMULATION; SOLVATION;

EID: 0037192713 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00608-X Document Type: Conference Paper

Times cited : (5)

References (32)

1
- 0008865469
- Oxocarbons Academic Press, New York
- (1980)
- West, R.¹

2
- 0001313579
- (1992) Chem. Rev. , vol.92 , pp. 1227
- Seltz, G.¹ Imming, P.²

3
- 0026164295
- (1991) Bioconjugate Chem. , vol.2 , pp. 148
- Tietze, L.F.¹ Schroder, C.² Gabius, S.³ Brinck, U.⁴ Goerlach-Graw, A.⁵ Gabius, H.-J.⁶

4
- 0029748548
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 7128
- Karle, I.L.¹ Ranganathan, D.² Haridas, V.³

5
- 37049089860
- (1991) J. Chem. Soc., Chem. Commun. , vol.6 , pp. 429
- Pu, L.S.¹

6
- 0001438762
- (1986) Bull. Chem. Soc. Jpn. , vol.59 , pp. 311
- Kobayashi, Y.¹ Goto, M.² Kurahashi, M.³

7
- 0000164097
- (1991) Can. J. Chem. , vol.69 , pp. 528
- Zhao, B.¹ Back, M.H.²

8
- 0001168041
- (1978) Appl. Phys. Lett. , vol.29 , pp. 414
- Merrit, V.Y.¹ Hovel, H.J.²

9
- 0000051578
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 1633
- Aihara, J.¹

10
- 0011713357
- (1986) J. Mol. Struct. (Theochem) , vol.137 , pp. 171
- Puebla, C.¹ Ha, T.-K.²

11
- 0343258686
- (1983) J. Mol. Struct. (Theochem) , vol.103 , pp. 219
- Herndon, W.C.¹

12
- 0034143285
- (2000) J. Mol. Struct. (Theochem) , vol.497 , pp. 137
- Zhou, L.¹ Zhang, Y.² Wu, L.³ Li, J.⁴

13
- 0001008741
- (2000) J. Org. Chem. , vol.54 , pp. 426
- Schleyer, P.R.¹ Najafian, K.² Kiran, B.³ Jiao, H.⁴

14
- 0042902817
- (2000) Tetrahedron Lett. , vol.41 , pp. 2001
- Quiñonero, D.¹ Frontera, A.² Ballester, P.³ Deyà, P.M.⁴

15
- 0008869542
- (1960) J. Am. Chem. Soc. , vol.826 , pp. 204
- West, R.¹ Niu, N.-Y.² Powell, D.L.³ Evans, M.V.⁴

16
- 0000504259
- (1978) Chem. Phys. , vol.35 , pp. 293
- Takahasi, M.¹ Kaya, K.² Ito, M.³

17
- 0033624008
- (2000) Spectrochim. Acta A , vol.56 , pp. 1553
- Santos, P.S.¹ Sala, O.² Noda, L.K.³ Gonçalves, N.S.⁴

18
- 33748608871
- (1963) J. Am. Chem. Soc. , vol.85 , pp. 2580
- Ito, M.¹ West, R.²

19
- 36849132848
- (1964) J. Chem. Phys. , vol.40 , pp. 3563
- MacIntyre, W.M.¹ Wekerma, M.S.²

20
- 0008865638
- (1976) Acta Chem. Scand. , vol.30 , pp. 808
- Semmingsen, D.¹

21
- 0031569666
- (1997) Chem. Phys. , vol.217 , pp. 71
- Ribeiro, M.C.C.¹ De Oliveira, L.F.C.² Santos, P.S.³

22
- 1242346370
- (1987) J. Phys. Chem. , vol.91 , pp. 6269
- Berendsen, H.J.C.¹ Grigera, J.R.² Straatsma, T.P.³

23
- 0003451443
- Oxford University Press, Clarendon Park
- (1987) Computer Simulations of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

24
- 0000299809
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 4768
- Jorgensen, W.L.¹ Severence, D.L.²

26
- 0040603414
- (1993) Annu. Rev. Phys. Chem. , vol.44 , pp. 335
- Ladanyi, B.M.¹ Skaf, M.S.²

27
- 0142025560
- (1993) Chem. Rev. , vol.93 , pp. 1157
- Ohtaki, H.¹ Radnai, T.²

28
- 0033963034
- (2000) J. Comp.-Aided Mol. Des. , vol.14 , pp. 123
- Schaftenaar, G.¹ Noordik, J.H.²

29
- 0004157499
- Oxford University Press, Oxford
- (1990) Atoms in Molecules: A Quantum Theory
- Bader, R.F.W.¹

30
- 84986468608
- (1984) J. Comp. Chem. , vol.5 , pp. 129
- Singh, U.C.¹ Kollman, P.A.²

31
- 84986513567
- (1990) J. Comp. Chem. , vol.11 , pp. 361
- Breneman, C.M.¹ Wiberg, K.B.²

32
- 0000260017
- (1996) J. Org. Chem. , vol.61 , pp. 6212
- Cerioni, G.¹ Janoschek, R.² Rappoport, Z.³ Tidwell, T.T.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.