-
7
-
-
0003854825
-
Modern methods for multidimensional dynamics computation in chemistry
-
World Scientific, Singapore, p
-
Bolton K, Hase WL, Peslherbe GH (1998) Modern methods for multidimensional dynamics computation in chemistry. In: Direct dynamics of reactive systems. World Scientific, Singapore, p. 143
-
(1998)
Direct dynamics of reactive systems
, pp. 143
-
-
Bolton, K.1
Hase, W.L.2
Peslherbe, G.H.3
-
8
-
-
0000884580
-
-
Millam JM, Bakken V, Chen W, Hase WL, Schlegel HB (1999) J Chem Phys 111:3800
-
(1999)
J Chem Phys
, vol.111
, pp. 3800
-
-
Millam, J.M.1
Bakken, V.2
Chen, W.3
Hase, W.L.4
Schlegel, H.B.5
-
9
-
-
0000323669
-
Modern methods and algorithms of quantum chemistry
-
John vonNeumann Institute for Computing, Julich p
-
Marx D, Hutter J (2000) Modern methods and algorithms of quantum chemistry. Ab initio molecular dynamics: theory and implementation vol 1. John vonNeumann Institute for Computing, Julich p 301
-
(2000)
Ab initio molecular dynamics: Theory and implementation
, vol.1
, pp. 301
-
-
Marx, D.1
Hutter, J.2
-
10
-
-
0035827207
-
-
Schlegel HB, Millam JM, Iyengar SS, Voth GA, Daniels AD, Scuseria GE, Frisch MJ (2001) J Chem Phys 114: 9758
-
(2001)
J Chem Phys
, vol.114
, pp. 9758
-
-
Schlegel, H.B.1
Millam, J.M.2
Iyengar, S.S.3
Voth, G.A.4
Daniels, A.D.5
Scuseria, G.E.6
Frisch, M.J.7
-
11
-
-
0035830223
-
-
Iyengar SS, Schlegel HB, Millam JM, Voth G A, Scuseria GE, Frisch MJ (2001) J Chem Phys 115:10291
-
(2001)
J Chem Phys
, vol.115
, pp. 10291
-
-
Iyengar, S.S.1
Schlegel, H.B.2
Millam, J.M.3
Voth, G.A.4
Scuseria, G.E.5
Frisch, M.J.6
-
12
-
-
18744373081
-
-
Schlegel HB, Iyengar SS, Li X, Millam JM, Voth GA, Scuseria GE, Frisch MJ (2002) J Chem Phys 117:8694
-
(2002)
J Chem Phys
, vol.117
, pp. 8694
-
-
Schlegel, H.B.1
Iyengar, S.S.2
Li, X.3
Millam, J.M.4
Voth, G.A.5
Scuseria, G.E.6
Frisch, M.J.7
-
22
-
-
84962387577
-
-
Gaussian, Inc
-
Frisch MJ, Trucks GW, Schlegel HB et al (2003) Gaussian 03, revision c.02. Gaussian, Inc.
-
(2003)
Gaussian 03, revision
, Issue.C.02
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
25
-
-
0022964504
-
-
Klapper I, Hagstrom R, Fine R, Sharp K, Honig B (1986) Proteins 1:47
-
(1986)
Proteins
, vol.1
, pp. 47
-
-
Klapper, I.1
Hagstrom, R.2
Fine, R.3
Sharp, K.4
Honig, B.5
-
30
-
-
84961984992
-
-
Benzi C, Cossi M, Barone V, Tarroni R, Zannoni C (2005) J Phys Chem B 109:2584
-
(2005)
J Phys Chem B
, vol.109
, pp. 2584
-
-
Benzi, C.1
Cossi, M.2
Barone, V.3
Tarroni, R.4
Zannoni, C.5
-
45
-
-
31544440193
-
-
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R (2006) J Am Chem Soc 128:607
-
(2006)
J Am Chem Soc
, vol.128
, pp. 607
-
-
Gustavsson, T.1
Banyasz, A.2
Lazzarotto, E.3
Markovitsi, D.4
Scalmani, G.5
Frisch, M.J.6
Barone, V.7
Improta, R.8
-
46
-
-
1842506971
-
-
Barone V, Improta R (2004) Chem Rev 104:1.231
-
Barone V, Improta R (2004) Chem Rev 104:1.231
-
-
-
-
64
-
-
33845182827
-
-
Blair JT, Krogh-Jespersen K, Levy RM (1.989) J Am Chem Soc 111:6948
-
Blair JT, Krogh-Jespersen K, Levy RM (1.989) J Am Chem Soc 111:6948
-
-
-
-
65
-
-
7044237445
-
-
Kongsted J, Osted A, Pedersen TB, Mikkelsen KV, Christiansen O (2004) J Phys Chem A 108:8624
-
(2004)
J Phys Chem A
, vol.108
, pp. 8624
-
-
Kongsted, J.1
Osted, A.2
Pedersen, T.B.3
Mikkelsen, K.V.4
Christiansen, O.5
-
82
-
-
2442660362
-
-
Barone V (2004) J Phys Chem A 108:41.46
-
Barone V (2004) J Phys Chem A 108:41.46
-
-
-
|