SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Physical Chemistry Chemical Physics

Volumn 3, Issue 22, 2001, Pages 4870-4873

Car-Parrinello molecular dynamics of the SN2 reaction Cl- + Cl2CH2

(4) Pagliai, M a Raugei, S a Cardini, G a Schettino, V a

a UNIVERSITY OF FLORENCE (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORIDE ION; CHLORINE;

ARTICLE; CALCULATION; CHEMICAL REACTION; ELECTRON; HYDROGEN BOND; MOLECULAR DYNAMICS; QUANTITATIVE ASSAY;

EID: 0035170222 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b105617b Document Type: Article

Times cited : (12)

References (35)

1
- 4243606192
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

2
- 0345914815
- (1999) J. Chem. Phys. , vol.111 , Issue.24 , pp. 10887
- Raugei, S.¹ Cardini, G.² Schettino, V.³

3
- 0035280645
- (2001) J. Chem. Phys. , vol.114 , pp. 4089
- Raugei, S.¹ Cardini, G.² Schettino, V.³

4
- 0034716312
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 501
- Boero, M.¹ Parrinello, M.² Hüffer, S.³ Weiss, H.⁴

5
- 0001237449
- (2000) J. Phys. Chem. B , vol.104 , pp. 2901
- Mortensen, J.J.¹ Parrinello, M.²

6
- 0001994422
- (2000) Comput. Sci. Eng. , vol.2 , pp. 22
- Parrinello, M.¹

7
- 0034269273
- (2000) J. Phys. Chem. , vol.104 , pp. 8558
- Gritsenko, O.V.¹ Ensing, B.² Schipper, P.R.T.³ Baerends, E.J.⁴

8
- 2842520383
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 10645
- Deng, L.¹ Branchadell, V.² Ziegler, T.³

9
- 5544227874
- (1991) J. Chem. Phys. , vol.94 , Issue.9 , pp. 6057
- Fan, L.¹ Ziegler, T.²

10
- 0000880057
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 9136
- Wladkowski, B.D.¹ Lim, K.F.² Allen, W.D.³ Brauman, J.I.⁴

11
- 22444453660
- (1998) Theor. Chem. Acc. , vol.99 , pp. 426
- Botschwina, P.¹

12
- 0034924437
- (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 2559
- Pagliai, M.¹ Raugei, S.² Cardini, G.³ Schettino, V.⁴

13
- 0001652762
- (1998) J. Chem. Phys. , vol.109 , pp. 6264
- Hamprecht, F.A.¹ Cohen, A.J.² Tozer, D.J.³ Handy, N.C.⁴

14
- 0346189340
- (2000) J. Chem. Phys. , vol.112 , pp. 1670
- Boese, A.D.¹ Doltsinis, N.L.² Handy, N.C.³ Sprik, M.⁴

15
- 4243553426
- (1988) Phys. Rev. A , vol.38 , Issue.6 , pp. 3098
- Becke, A.D.¹

16
- 0345491105
- (1988) Phys. Rev. B , vol.37 , Issue.2 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

17
- 0001360683
- (1982) Tetrahedron Lett. , vol.23 , Issue.40 , pp. 4157
- Kost, D.¹ Aviram, K.²

18
- 0001649581
- (1982) Tetrahedron Lett. , vol.23 , Issue.6 , pp. 615
- Wolfe, S.¹ Mitchell, D.J.² Bernhard Schlegel, H.³ Minot, C.⁴ Eisenstein, O.⁵

19
- 0020766660
- (1983) J. Am. Chem. Soc. , vol.105 , Issue.13 , pp. 4359
- Shaik, S.S.¹

20
- 1842383512
- (1996) J. Phys. Chem. , vol.100 , pp. 14397
- Viggiano, A.A.¹ Arnold, S.T.² Morris, R.A.³ Ahrens, A.F.⁴ Hierl, P.M.⁵

21
- 0000984442
- (1997) J. Chem. Phys. , vol.106 , pp. 575
- Clary, D.C.¹ Palma, J.²

22
- 0004133266
- MPI für Festkörperforschung and IBM Zurich Research Laboratory, Stuttgart
- (1995) CPMD
- Hutter, J.¹ Alavi, A.² Deutch, T.³ Bernasconi, M.⁴ Goedecker, St.⁵ Marx, D.⁶ Tuckerman, M.⁷ Parrinello, M.⁸

23
- 33645426115
- (1991) Phys. Rev. B , vol.43 , Issue.3 , pp. 1993
- Troullier, N.¹ Martins, J.L.²

24
- 0001723472
- (1996) J. Chem. Phys. , vol.105 , pp. 1142
- Sprik, M.¹ Hutter, J.² Parrinello, M.³

25

26
- 4243690324
- (1997) Phys. Rev. B , vol.56 , pp. 12847
- Marzari, N.¹ Vanderbilt, D.²

27
- 0032066447
- (1998) Solid State Commun. , vol.107 , Issue.1 , pp. 7
- Silvestrelli, P.L.¹ Marzari, N.² Vanderbilt, D.³ Parrinello, M.⁴

28
- 36549100412
- (1990) J. Chem. Phys. , vol.92 , Issue.9 , pp. 5397
- Becke, A.D.¹ Edgecombe, K.E.²

29
- 0027946619
- (1994) Nature , vol.371 , pp. 683
- Silvi, B.¹ Savin, A.²

30
- 0034598847
- (2000) J. Phys. Chem. A , vol.104 , pp. 852
- Fuster, F.¹ Sevin, A.² Silvi, B.³

31
- 0002884010
- (1995) Chem. Phys. Lett. , vol.236 , pp. 53
- Baker, J.¹ Andzelm, J.² Muir, M.³ Taylor, P.R.⁴

32
- 0001570801
- (1988) Mol. Phys. , vol.63 , Issue.4 , pp. 647
- Duncan, J.L.¹ Ferguson, A.M.² Harper, J.³ Tonge, K.H.⁴

33
- 0035942876
- (2001) J. Phys. Chem. A , vol.105 , pp. 4887
- Hiraoka, K.¹ Mizuno, T.² Eguchi, D.³ Yamabe, S.⁴

34
- 36148995600
- (1985) J. Chem. Phys. , vol.83 , Issue.2 , pp. 735
- Reed, A.E.¹ Weinstock, B.R.² Weinhold, F.³

35
- 33947466844
- (1956) Chem. Rev. , vol.56 , pp. 571
- Streitwieser A., Jr.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.