-
32
-
-
0029011701
-
-
W. D. Cornell P. Cieplak C. I. Bayly I. R. Gould K. J. Merz D. M. Ferguson D. M. Spellmeyer T. Fox J. W. Caldwell P. Kollman J. Am. Chem. Soc. 1995 117 5179
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.J.5
Ferguson, D.M.6
Spellmeyer, D.M.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.10
-
43
-
-
0001538909
-
-
DL-POLY is a parallel molecular dynamics simulation package developed at the Daresbury Laboratory Project for Computer Simulations under the auspices of the EPSRC for the Collaborative Computational Project for Computer Simulation of Condensed Phases (CCP5) and the Advanced Research Computing Group (ARCG) at the Daresbury Laboratory
-
W. G. Hoover Phys. Rev. A: At., Mol., Opt. Phys. 1985 31 1695
-
(1985)
Phys. Rev. A: At., Mol., Opt. Phys.
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
50
-
-
84855613795
-
-
Gaussian, Inc., Wallingford CT
-
M. J. Frisch, G. W. Trucks, H. B. Schelgel, G. E. Scuseria, M. A. Robb, J. R. Cheesemann, J. A. Montgomery, J. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Ciolkowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004
-
(2004)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schelgel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheesemann, J.R.6
Montgomery, J.A.7
Vreven, J.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakajima, T.20
Honda, Y.21
Kitao, O.22
Nakai, H.23
Klene, M.24
Li, X.25
Knox, J.E.26
Hratchian, H.P.27
Cross, J.B.28
Bakken, V.29
Adamo, C.30
Jaramillo, J.31
Gomperts, R.32
Stratmann, R.E.33
Yazyev, O.34
Austin, A.J.35
Cammi, R.36
Pomelli, C.37
Ochterski, J.W.38
Ayala, P.Y.39
Morokuma, K.40
Voth, G.A.41
Salvador, P.42
Dannenberg, J.J.43
Zakrzewski, V.G.44
Dapprich, S.45
Daniels, A.D.46
Strain, M.C.47
Farkas, O.48
Malick, D.K.49
Rabuck, A.D.50
Raghavachari, K.51
Foresman, J.B.52
Ortiz, J.V.53
Cui, Q.54
Baboul, A.G.55
Clifford, S.56
Ciolkowski, J.57
Stefanov, B.B.58
Liu, G.59
Liashenko, A.60
Piskorz, P.61
Komaromi, I.62
Martin, R.L.63
Fox, D.J.64
Keith, T.65
Al-Laham, M.A.66
Peng, C.Y.67
Nanayakkara, A.68
Challacombe, M.69
Gill, P.M.W.70
Johnson, B.71
Chen, W.72
Wong, M.W.73
Gonzalez, C.74
Pople, J.A.75
more..
-
53
-
-
34248400687
-
-
B. Kazakevicien G. Valincius G. Niaura Z. Talaikyt M. Kaemkait V. Razumas D. Plauinatis A. Teierskien V. Lisauskas Langmuir 2007 23 4965
-
(2007)
Langmuir
, vol.23
, pp. 4965
-
-
Kazakevicien, B.1
Valincius, G.2
Niaura, G.3
Talaikyt, Z.4
Kaemkait, M.5
Razumas, V.6
Plauinatis, D.7
Teierskien, A.8
Lisauskas, V.9
|