-
2
-
-
0036424048
-
-
P. G. Bolhuis, D. Chandler, C. Dellago, and P. L. Geissler, Annu. Rev. Phys. Chem. 53, 291 (2002).
-
(2002)
Annu. Rev. Phys. Chem.
, vol.53
, pp. 291
-
-
Bolhuis, P.G.1
Chandler, D.2
Dellago, C.3
Geissler, P.L.4
-
3
-
-
0037145185
-
-
M. Boero, M. Parrinello, K. Terakura, and H. Weiss, Mol. Phys. 100, 2935 (2002).
-
(2002)
Mol. Phys.
, vol.100
, pp. 2935
-
-
Boero, M.1
Parrinello, M.2
Terakura, K.3
Weiss, H.4
-
5
-
-
0001042824
-
-
F. Sim, A. St-Amant, I. Papai, and D. R. Salahub, J. Am. Chem. Soc. 114, 4391 (1992).
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 4391
-
-
Sim, F.1
St-Amant, A.2
Papai, I.3
Salahub, D.R.4
-
10
-
-
12944252320
-
-
H. Rydberg, N. Jacobson, P. Hyldgaard, S. Simak, B. I. Lundqvist, and D. C. Langreth, Surf. Sci. 532-535, 606 (2003).
-
(2003)
Surf. Sci.
, vol.532-535
, pp. 606
-
-
Rydberg, H.1
Jacobson, N.2
Hyldgaard, P.3
Simak, S.4
Lundqvist, B.I.5
Langreth, D.C.6
-
11
-
-
0035891306
-
-
X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 8748
-
-
Wu, X.1
Vargas, M.C.2
Nayak, S.3
Lotrich, V.4
Scoles, G.5
-
12
-
-
0037434746
-
-
T. Werder, J. H. Walther, R. L. Jaffe, T. Halicioglu, and P. Koumoutsakos, J. Phys. Chem. B 107, 1345 (2003).
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 1345
-
-
Werder, T.1
Walther, J.H.2
Jaffe, R.L.3
Halicioglu, T.4
Koumoutsakos, P.5
-
13
-
-
3343014210
-
-
J. P. Perdew, S. Kurth, A. Zupan, and P. Blaha, Phys. Rev. Lett. 82, 2544 (1999).
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 2544
-
-
Perdew, J.P.1
Kurth, S.2
Zupan, A.3
Blaha, P.4
-
14
-
-
0001633566
-
-
E. Hult, Y. Andersson, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. Lett. 77, 2029 (1996).
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 2029
-
-
Hult, E.1
Andersson, Y.2
Lundqvist, B.I.3
Langreth, D.C.4
-
15
-
-
0001437377
-
-
E. Hult, H. Rydberg, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B 59, 4708 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 4708
-
-
Hult, E.1
Rydberg, H.2
Lundqvist, B.I.3
Langreth, D.C.4
-
21
-
-
10844275014
-
-
C. Douketis, G. Scoles, S. Marchetti, M. Zen, and A. J. Thakkar, J. Chem. Phys. 76, 3057 (1982).
-
(1982)
J. Chem. Phys.
, vol.76
, pp. 3057
-
-
Douketis, C.1
Scoles, G.2
Marchetti, S.3
Zen, M.4
Thakkar, A.J.5
-
23
-
-
0035932162
-
-
M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, and E. Kaxiras, J. Chem. Phys. 114, 5149 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5149
-
-
Elstner, M.1
Hobza, P.2
Frauenheim, T.3
Suhai, S.4
Kaxiras, E.5
-
29
-
-
0002851019
-
-
edited by P. Ziesche and H. Eschrig (Akademie-Verlag, Berlin)
-
J. P. Perdew, in Electronic Structure of Solids, edited by P. Ziesche and H. Eschrig (Akademie-Verlag, Berlin, 1991), pp. 11-20.
-
(1991)
Electronic Structure of Solids
, pp. 11-20
-
-
Perdew, J.P.1
-
35
-
-
0346189340
-
-
A. D. Boese, N. L. Doltsinis, N. C. Handy, and M. Sprik, J. Chem. Phys. 112, 1670 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1670
-
-
Boese, A.D.1
Doltsinis, N.L.2
Handy, N.C.3
Sprik, M.4
-
38
-
-
0000162332
-
-
S. Suzuki, P. G. Green, R. E. Bumgarner, S. Dasgupta, W. A. Goddard, and G. A. Blake, Science 257, 942 (1992).
-
(1992)
Science
, vol.257
, pp. 942
-
-
Suzuki, S.1
Green, P.G.2
Bumgarner, R.E.3
Dasgupta, S.4
Goddard, W.A.5
Blake, G.A.6
-
40
-
-
1542394280
-
-
© IBM Corp. 1990-2003, © MPI für Festkörperforschung Stuttgart
-
CPMD V3.7, © IBM Corp. 1990-2003, © MPI für Festkörperforschung Stuttgart, 1997-2001.
-
(1997)
CPMD V3.7
-
-
-
43
-
-
1542499231
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Technic Report, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Technic Report
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
44
-
-
1542499232
-
-
private communication
-
R. Jaffe (private communication, 2002).
-
(2002)
-
-
Jaffe, R.1
-
45
-
-
0039991353
-
-
M.-T. Zhao, M. Samoc, B. P. Singh, and P. N. Prasad, J. Phys. Chem. 93, 7916 (1989).
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 7916
-
-
Zhao, M.-T.1
Samoc, M.2
Singh, B.P.3
Prasad, P.N.4
-
46
-
-
1542708923
-
-
The International Association for the Properties of Water and Steam, 2001, pp. 1-7
-
The International Association for the Properties of Water and Steam, 2001, pp. 1-7.
-
-
-
-
47
-
-
1542338864
-
-
I. Fischer, R. Lindner, and K. Müller-Dethlefs, J. Chem. Soc., Faraday Trans. 90, 2425 (1994).
-
(1994)
J. Chem. Soc., Faraday Trans.
, vol.90
, pp. 2425
-
-
Fischer, I.1
Lindner, R.2
Müller-Dethlefs, K.3
-
48
-
-
36449001864
-
-
R. G. Tonkyn, R. Wiedmann, E. R. Grant, and M. G. White, J. Chem. Phys. 95, 7033 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 7033
-
-
Tonkyn, R.G.1
Wiedmann, R.2
Grant, E.R.3
White, M.G.4
|