-
1
-
-
34748813199
-
-
D A Case, D A Pearlman, J W Caldwell, T E Cheatham III, J Wang, W S Ross, C Simmerling, T Darden, K M Merz, R V Stanton, A Cheng, J J Vincent, M Crowley, V Tsui, H Gohlke, R Radmer, Y Duan, J Pitera, I Massova, G L Seibel, U C Singh, P Weiner, and P A Kollman, AMBER 7, San Francisco: University of California, (2002).
-
(2002)
-
-
Case, D.A.1
Pearlman, D.A.2
Caldwell, J.W.3
Cheatham Iii, T.E.4
Wang, J.5
Ross, W.S.6
Simmerling, C.7
Darden, T.8
Merz, K.M.9
Stanton, R.V.10
Cheng, A.11
Vincent, J.J.12
Crowley, M.13
Tsui, V.14
Gohlke, H.15
Radmer, R.16
Duan, Y.17
Pitera, J.18
Massova, I.19
Seibel, G.L.20
Singh, U.C.21
Weiner, P.22
Kollman, P.A.23
more..
-
2
-
-
84986512474
-
-
B R Brooks, R E Bruccoleri, B D Olafson, D J States, S Swaminathan, and M Karplus 1983 J. Comput. Chem. 4 187
-
(1983)
J. Comput. Chem.
, vol.4
, Issue.2
, pp. 187
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
3
-
-
33750587438
-
-
H J C Berendsen, J P M Postma, W F van Gunsteren, A diNola, and J R Haak 1984 J. Chem. Phys. 81 3684
-
(1984)
J. Chem. Phys.
, vol.81
, Issue.8
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
6
-
-
84873055189
-
-
W J Hehre, L Radom, P Schleyer, and J Pople, Ab initio Molecular Orbital Theory, New York: Wiley, (1986).
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.3
Pople, J.4
-
21
-
-
0001046021
-
-
T Nakano, T Kaminuma, T Sato, Y Akiyama, M Uebayasi, and K Kitaura 2000 Chem. Phys. Lett. 318 614
-
(2000)
Chem. Phys. Lett.
, vol.318
, Issue.6
, pp. 614
-
-
Nakano, T.1
Kaminuma, T.2
Sato, T.3
Akiyama, Y.4
Uebayasi, M.5
Kitaura, K.6
-
23
-
-
0037103814
-
-
C Amovilli, I Cacelli, S Campanile, and G Prampolini 2002 J. Chem. Phys. 117 3003
-
(2002)
J. Chem. Phys.
, vol.117
, Issue.7
, pp. 3003
-
-
Amovilli, C.1
Cacelli, I.2
Campanile, S.3
Prampolini, G.4
-
28
-
-
0004161838
-
-
W H Press, S A Teukolsky, W T Vetterling, and B P Flannery, Numerical Recipes in FORTRAN: The Art of Scientific Computing, 2nd Ed., Cambridge: Cambridge University Press, (1992).
-
(1992)
Numerical Recipes in FORTRAN: The Art of Scientific Computing, 2nd Ed.
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
36
-
-
34748914358
-
-
M J Frisch, G W Trucks, H B Schlegel, G E Scuseria, M A Robb, J R Cheeseman, V G Zakrzewski, J A Montgomery, Jr, R E Stratmann, J C Burant, S Dapprich, J M Millam, A D Daniels, K N Kudin, M C Strain, O Farkas, J Tomasi, V Barone, M Cossi, R Cammi, B Mennucci, C Pomelli, C Adamo, S Clifford, J Ochterski, G A Petersson, P Y Ayala, Q Cui, K Morokuma, D K Malick, A D Rabuck, K Raghavachari, J B Foresman, J Cioslowski, J V Ortiz, B B Stefanov, G Liu, A Liashenko, P Piskorz, I Komaromi, R Gomperts, R L Martin, D J Fox, T Keith, M A Al-Laham, C Y Peng, A Nanayakkara, C Gonzalez, M Challacombe, P M W Gill, B Johnson, W Chen, M W Wong, J L Andres, C Gonzalez, M Head-Gordon, E S Replogle, and J A Pople, GAUSSIAN 98, Revision A.6, Pittsburgh, PA: Gaussian Inc., (1998).
-
(1998)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Jr9
Stratmann, R.E.10
Burant, J.C.11
Dapprich, S.12
Millam, J.M.13
Daniels, A.D.14
Kudin, K.N.15
Strain, M.C.16
Farkas, O.17
Tomasi, J.18
Barone, V.19
Cossi, M.20
Cammi, R.21
Mennucci, B.22
Pomelli, C.23
Adamo, C.24
Clifford, S.25
Ochterski, J.26
Petersson, G.A.27
Ayala, P.Y.28
Cui, Q.29
Morokuma, K.30
Malick, D.K.31
Rabuck, A.D.32
Raghavachari, K.33
Foresman, J.B.34
Cioslowski, J.35
Ortiz, J.V.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
|