SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Journal of Chemical Physics

Volumn 116, Issue 22, 2002, Pages 9578-9584

Simple one-electron quantum capping potentials for use in hybrid QM/MM studies of biological molecules

(3) DiLabio, Gino A a Hurley, Margaret M b Christiansen, Phillip A c

a NATIONAL RESEARCH COUNCIL CANADA (Canada)

b U S ARMY RESEARCH LABORATORY (United States)

c CLARKSON UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; ERROR ANALYSIS; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

QUANTUM POTENTIALS;

QUANTUM THEORY;

EID: 0037042635 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1477182 Document Type: Article

Times cited : (150)

References (31)

1
- 0003461132
- Wiley, New York
- (1991) Computer Modeling of Reactions in Enzymes
- Warshel, A.¹

2
- 84962367344
- edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York
- (1996) Reviews in Computational Chemistry , vol.7 , pp. 119
- Gao, J.¹

3
- 0002360961
- Combined quantum mechanical and molecular mechanics methods
- American Chemical Society, Washington. DC
- (1998) ACS Symposium Series , vol.712
- Gao, J.¹ Thompson, M.A.²

4
- 84986527758
- (1995) J. Comput. Chem. , vol.16 , pp. 1170
- Maseras, F.¹ Morokuma, K.²

5
- 0033515394
- and references therein
- (1999) J. Mol. Struct.: THEOCHEM , vol.461-462 , pp. 1
- Dapprich, S.¹ Kormaromi, I.² Byun, K.S.³ Morokuma, K.⁴ Frish, M.J.⁵

6
- 0032676585
- (1999) J. Phys. Chem. A , vol.103 , pp. 3245
- Shoemaker, J.R.¹ Burggraf, L.W.² Gordon, M.S.³

7
- 84988053595
- (1986) J. Comput. Chem. , vol.7 , pp. 718
- Singh, U.C.¹ Kollman, P.A.²

8
- 0001763714
- (2000) J. Phys. Chem. A , vol.104 , pp. 1720
- Reuter, N.¹ Dejaegere, A.² Maigret, B.³ Karplus, M.⁴

9
- 0000253679
- (1997) Int. J. Quantum Chem. , vol.63 , pp. 1051
- Bersuker, I.B.¹ Leong, M.K.² Boggs, J.E.³ Perlman, R.S.⁴

10
- 0030573150
- (1996) Chem. Phys. Lett. , vol.263 , pp. 100
- Assfeld, X.¹ Rivail, J.-L.²

11
- 0001420061
- (1999) J. Comput. Chem, , vol.20 , pp. 1468
- Philipp, D.M.¹ Friesner, R.A.²

12
- 0000411659
- (1998) J. Phys. Chem. A , vol.102 , pp. 4714
- Gao, J.¹ Amara, P.² Alhambra, C.³ Field, M.J.⁴

13
- 0001582558
- (1998) J. Chem. Phys. , vol.110 , pp. 46
- Zhang, Y.¹ Lee, T.-S.² Yang, W.³

14
- 0009489886
- Hypercube, Inc., Ontario, Canada
- (1994) Hyperchem Users Manual, Computational Chemistry

15
- 0345713551
- (1996) J. Phys. Chem. , vol.100 , pp. 10580
- Bakowies, D.¹ Thiel, W.²

16
- 0000473603
- (1999) J. Phys. Chem. A , vol.103 , pp. 9290
- Antes, I.¹ Theil, W.²

17
- 0042354356
- Combined quantum mechanical and molecular mechanics methods
- edited by J. Gao and M. A. Thompson (American Chemical Society, Washington. DC)
- (1998) ACS Symposium Series , vol.712
- Antes, I.¹ Thiel, W.²

18
- 0000138517
- (1996) J. Chem. Phys. , vol.105 , pp. 1968
- Day, P.N.¹ Jensen, J.H.² Gordan, M.S.³ Webb, S.P.⁴ Stevens, W.J.⁵ Krauss, M.⁶ Garmer, D.⁷ Basch, H.⁸ Cohen, D.⁹

19
- 0035954990
- (2001) J. Phys. Chem. B , vol.105 , pp. 7096
- Worthington, S.E.¹ Krauss, M.²

20
- 0035138053
- (2001) J. Phys. Chem. A , vol.105 , pp. 293
- Gordon, M.S.¹ Freitag, M.A.² Bandypoadhyay, P.³ Jensen, J.H.⁴ Kairys, V.⁵ Stevens, W.J.⁶

21
- 0035127331
- (2001) J. Phys. Chem. A , vol.105 , pp. 198
- Poteau, R.¹ Ortega, I.² Alary, F.³ Solis, A.R.⁴ Barthelat, J.-C.⁵ Daudey, J.-P.⁶

22
- 0001333484
- and references therein
- (1997) J. Chem. Phys. , vol.107 , pp. 9975
- Wildman, S.A.¹ Dilabio, G.A.² Christiansen, P.A.³

23
- 36749115990
- (1979) J. Chem Phys. , vol.71 , pp. 4445
- Christiansen, P.A.¹ Lee, Y.S.² Pitzer, K.S.³

24
- 0004133516
- Gaussian. Inc., Pittsburgh, PA
- (1998) GAUSSIAN 98, Revision A.3.
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

25
- 0009518248
- note

26
- 84986513567
- (1990) J. Comput. Chem. , vol.11 , pp. 361
- Breneman, C.M.¹ Wiberg, K.B.²

27
- 3042524904
- (1993) J. Phys. Chem. , vol.97 , pp. 10269
- Bayly, C.I.¹ Cieplak, P.² Cornell, W.D.³ Kollman, P.A.⁴

28
- 1542451966
- (1985) J. Chem. Phys. , vol.82 , pp. 2664
- Pacios, L.F.¹ Christiansen, P.A.²

29
- 0005744966
- (1984) J. Chem. Phys. , vol.81 , pp. 6026
- Stevens, W.J.¹ Basch, H.² Krauss, M.³

30
- 33745770836
- (1985) J. Chem. Phys. , vol.82 , pp. 270
- Hay, P.J.¹ Wadt, W.R.²

31
- 36549092018
- (1987) J. Chem. Phys. , vol.86 , pp. 866
- Dolg, M.¹ Wedig, U.² Stoll, H.³ Pruess, H.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.