-
1
-
-
0003396304
-
-
von Ragué Schleyer P., Ed. - John Wiley & Sons, Ltd
-
Encyclopedia of Computational Chemistry, von Ragué Schleyer P., Ed. - John Wiley & Sons, Ltd. (1998).
-
(1998)
Encyclopedia of Computational Chemistry
-
-
-
6
-
-
0034521981
-
-
P.A. Kollman, I. Massova, C. Reyes, B. Kuhn, S.H. Huo, L. Chong, M. Lee, T. Lee, Y. Duan, W. Wang, O. Donini, P. Cieplak, J. Srinivasan, D.A. Case, T.E. Cheatham, Acc. Chem. Res., 33 (2000) 889.
-
(2000)
Acc. Chem. Res.
, vol.33
, pp. 889
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.H.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
Cieplak, P.12
Srinivasan, J.13
Case, D.A.14
Cheatham, T.E.15
-
8
-
-
0034300238
-
-
W. Cai, M. de Koning, V.V. Bulatov, S. Yip, Phys. Rev. Lett, 85 (2000) 3213.
-
(2000)
Phys. Rev. Lett
, vol.85
, pp. 3213
-
-
Cai, W.1
de Koning, M.2
Bulatov, V.V.3
Yip, S.4
-
10
-
-
0001060370
-
-
E.B. Tadmor, G.S. Smith, N. Bernstein, E. Kaxiras, Phys. Rev. B, 59 (1999) 235.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 235
-
-
Tadmor, E.B.1
Smith, G.S.2
Bernstein, N.3
Kaxiras, E.4
-
15
-
-
15444370709
-
-
In: A Primer in Density Functional Theory, C. Fiolhais, F. Nogueira, M. Marques, Eds, Springer Verlag
-
J.P. Perdew, S. Kurth, Density Functionals for Non-relativistic Coulomb Systems in the New Century, In: A Primer in Density Functional Theory, C. Fiolhais, F. Nogueira, M. Marques, Eds. pp. 1-55, Springer Verlag, 2003.
-
(2003)
Density Functionals for Non-relativistic Coulomb Systems in the New Century
, pp. 1-55
-
-
Perdew, J.P.1
Kurth, S.2
-
25
-
-
26344467291
-
-
In: “Revews of Modern Quantum Chemistry. A Celebration of the Contributions of Robert G Parr”, K. Sen, (Ed.), World Scientific
-
E.V. Ludena, V.V. Karasiev, Kinetic Energy Functionals: History, Challenges, and Prospects, In: “Revews of Modern Quantum Chemistry. A Celebration of the Contributions of Robert G Parr” pp. 612-665, K. Sen, (Ed.), World Scientific, 2002.
-
(2002)
Kinetic Energy Functionals: History, Challenges, and Prospects
, pp. 612-665
-
-
Ludena, E.V.1
Karasiev, V.V.2
-
26
-
-
0000377022
-
-
in “Theoretical Methods in Condensed Phase Chemistry” S.D. Schwartz Ed, “Theoretical Methods in Chemistry and Physics”, Kluwer
-
Y.A. Wang, E.A. Carter, Orbital-free kinetic energy functional theory, in “Theoretical Methods in Condensed Phase Chemistry” S.D. Schwartz Ed, “Theoretical Methods in Chemistry and Physics”, pp. 117-84, Kluwer, 2000.
-
(2000)
Orbital-free kinetic energy functional theory
, pp. 117-84
-
-
Wang, Y.A.1
Carter, E.A.2
-
27
-
-
85115958127
-
-
July 31-August 2, CECAM, Lyon (France) organized by T.A. Wesolowski and H. Chermette. The report of the workshop is available at
-
CECAM workshop: Computer modelling of atoms, molecules, and materials using approximate functionals of the kinetic energy, July 31-August 2, 2002, CECAM, Lyon (France) organized by T.A. Wesolowski and H. Chermette. The report of the workshop is available at: http://lcta.unige.ch/~tomek/cecam2002/cecam2002.html.
-
(2002)
Computer modelling of atoms, molecules, and materials using approximate functionals of the kinetic energy
-
-
-
30
-
-
84990704721
-
-
M.D. Glossman, A. Rubio, L.C. Balbas, J.A. Alonso, Int. J. Quant. Chem., 45, (1993) 333.
-
(1993)
Int. J. Quant. Chem.
, vol.45
, pp. 333
-
-
Glossman, M.D.1
Rubio, A.2
Balbas, L.C.3
Alonso, J.A.4
-
40
-
-
0035828027
-
-
D.J. Gonzalez, L.E. Gonzalez, J.M. Lopez, M.J. Stott, J. Chem. Phys., 115 (2001) 2373.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2373
-
-
Gonzalez, D.J.1
Gonzalez, L.E.2
Lopez, J.M.3
Stott, M.J.4
-
43
-
-
24744468674
-
-
T.J. Frankcombe, G.J. Kroes, N.I. Choly, E. Kaxiras, J. Phys. Chem. B., 109 (2005) 16554.
-
(2005)
J. Phys. Chem. B.
, vol.109
, pp. 16554
-
-
Frankcombe, T.J.1
Kroes, G.J.2
Choly, N.I.3
Kaxiras, E.4
-
53
-
-
22944484095
-
-
J. Neugebauer, M.J. Louwerse, E.J. Baerends, T.A. Wesolowski, J. Chem. Phys., 122 (2005) 094115.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 094115
-
-
Neugebauer, J.1
Louwerse, M.J.2
Baerends, E.J.3
Wesolowski, T.A.4
-
57
-
-
0348060522
-
-
J. Sauer, P. Ugliengo, E. Garrone, V.R. Sounders, Chem. Rev., 94 (1994) 2095.
-
(1994)
Chem. Rev.
, vol.94
, pp. 2095
-
-
Sauer, J.1
Ugliengo, P.2
Garrone, E.3
Sounders, V.R.4
-
58
-
-
84962367344
-
-
in, Eds. K.B. Lipkowitz and B. Boyd, VCH, New York
-
J. Gao, in “Reviews in Computational Chemistry” vol. 7, Eds. K.B. Lipkowitz and B. Boyd, VCH, New York, (1995) p. 119.
-
(1995)
Reviews in Computational Chemistry
, vol.7
, pp. 119
-
-
Gao, J.1
-
66
-
-
0001652762
-
-
F.A. Hamprecht, A.J. Cohen, D.J. Tozer, N.C. Handy, J. Chem. Phys., 109 (1998) 6264.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6264
-
-
Hamprecht, F.A.1
Cohen, A.J.2
Tozer, D.J.3
Handy, N.C.4
-
77
-
-
85115917343
-
-
P.K. Acharaya, L.J. Bartolotti, S.B. Sears, R.G. Parr, Proc. Natl. Acad. Sei. USA, 77 (1980) 6978.
-
(1980)
Proc. Natl. Acad. Sei. USA
, vol.77
, pp. 6978
-
-
Acharaya, P.K.1
Bartolotti, L.J.2
Sears, S.B.3
Parr, R.G.4
-
84
-
-
0003754095
-
-
in, 91 eds. P.E. Ziesche and H. Eschrig, (Academie Verlag, Berlin
-
J.P. Perdew, Y. Wang, in Electronic Structure of Solids’ 91 eds. P.E. Ziesche and H. Eschrig, (Academie Verlag, Berlin, 1991), p.11.
-
(1991)
Electronic Structure of Solids’
, pp. 11
-
-
Perdew, J.P.1
Wang, Y.2
-
85
-
-
4243943295
-
-
78, (1997) 1396(E)
-
J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett, 77, (1996) 3865; 78, (1997) 1396(E).
-
(1996)
Phys. Rev. Lett
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
89
-
-
0000793345
-
-
J.P. Perdew, M. Ernzerhof, A. Zupan, K. Burke, J. Chem. Phys., 108 (1998) 1522.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 1522
-
-
Perdew, J.P.1
Ernzerhof, M.2
Zupan, A.3
Burke, K.4
-
101
-
-
0042206845
-
-
P. Slavicek, R. Kalus, P. Paska, I. Odvarkova, P. Hobza, A. Malijevsky, J. Chem. Phys, 119 (2003) 2102.
-
(2003)
J. Chem. Phys
, vol.119
, pp. 2102
-
-
Slavicek, P.1
Kalus, R.2
Paska, P.3
Odvarkova, I.4
Hobza, P.5
Malijevsky, A.6
-
103
-
-
0031250361
-
-
T.A. Wesolowski, O. Parisei, Y. Ellinger, J. Weber, J. Phys. Chem. A, 101 (1997) 7818.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 7818
-
-
Wesolowski, T.A.1
Parisei, O.2
Ellinger, Y.3
Weber, J.4
-
111
-
-
77956972092
-
Time-Dependent Density Functional Response Theory of Molecular Systems: Theory, Computational Methods, and Functionals
-
In, Theoretical and Computational Chemistry, Elsevier Science B.V. J.M. Seminario Ed
-
M.E. Casida, Time-Dependent Density Functional Response Theory of Molecular Systems: Theory, Computational Methods, and Functionals. In: Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry, vol. 4, pp. 391-439, 1996 Elsevier Science B.V. J.M. Seminario Ed.
-
(1996)
Recent Developments and Applications of Modern Density Functional Theory
, vol.4
, pp. 391-439
-
-
Casida, M.E.1
-
112
-
-
0042060750
-
-
In: A Primer in Density Functional Theory, C. Fiolhais, F. Nogueira, M. Marques, Eds, Springer Verlag
-
M.A.L. Marques, E.K.U. Gross, Time-Dependent Density Functional Theory. In: A Primer in Density Functional Theory, C. Fiolhais, F. Nogueira, M. Marques, Eds. pp. 144-184, Springer Verlag, 2003.
-
(2003)
Time-Dependent Density Functional Theory.
, pp. 144-184
-
-
Marques, M.A.L.1
Gross, E.K.U.2
-
116
-
-
85115957751
-
-
deMon SOFTWARE - deMon-KS MODULE, RELEASE 3.5 Copyright 1998 by the University of Montreal and the authors
-
deMon SOFTWARE - deMon-KS MODULE, RELEASE 3.5 Copyright 1998 by the University of Montreal and the authors.
-
-
-
-
118
-
-
85115933396
-
-
Ph.D. Thesis, University of Montreal
-
Alain St-Amant, Ph.D. Thesis, University of Montreal (1992).
-
(1992)
-
-
St-Amant, A.1
-
119
-
-
85115959921
-
-
principal authors deMon-KS version 3.5, deMon Software
-
deMon-KS version 3.5, M.E. Casida, C. Daul, A. Goursot, A. Koester, L.G.M. Pettersson, E. Proynov, A. St-Amant, D.R. Salahub principal authors, S. Chretien, H. Duarte, N. Godbout, J. Guan, C. Jamorski, M. Leboeuf, V. Malkin, O. Malkina, M. Nyberg, L. Pedocchi, F. Sim, A. Vela contributing authors, deMon Software, 1998.
-
(1998)
Vela contributing authors
-
-
Casida, M.E.1
Daul, C.2
Goursot, A.3
Koester, A.4
Pettersson, L.G.M.5
Proynov, E.6
St-Amant, A.7
Salahub, D.R.8
Chretien, S.9
Duarte, H.10
Godbout, N.11
Guan, J.12
Jamorski, C.13
Leboeuf, M.14
Malkin, V.15
Malkina, O.16
Nyberg, M.17
Pedocchi, L.18
Sim, F.A.19
-
121
-
-
0000998336
-
-
V. Barone, A. Grand, C. Minichino, R. Subra, J. Phys. Chem., 97 (1993) 6355.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 6355
-
-
Barone, V.1
Grand, A.2
Minichino, C.3
Subra, R.4
-
126
-
-
0001325667
-
-
G. Hong, M. Strajbl, T.A. Wesolowski, A. Warshel, J. Comput Chem., 21 (2000) 1554.
-
(2000)
J. Comput Chem.
, vol.21
, pp. 1554
-
-
Hong, G.1
Strajbl, M.2
Wesolowski, T.A.3
Warshel, A.4
-
128
-
-
0037194961
-
-
F. Tran, J. Weber, T.A. Wesolowski, F. Cheikh, Y. Ellinger, F. Pauzat, J. Phys. Chem. B, (2002) 1068689.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 8689
-
-
Tran, F.1
Weber, J.2
Wesolowski, T.A.3
Cheikh, F.4
Ellinger, Y.5
Pauzat, F.6
-
129
-
-
7644238431
-
-
F. Tran, B. Almeddine, T.A. Jenny, T.A. Wesolowski, J. Phys. Chem. A, 108, (2004) 9155.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 9155
-
-
Tran, F.1
Almeddine, B.2
Jenny, T.A.3
Wesolowski, T.A.4
-
131
-
-
0037180863
-
-
M. Trajbl, G.Y. Hong, A. Warshel, J. Phys. Chem. B, 106, (2002) 13333.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 13333
-
-
Trajbl, M.1
Hong, G.Y.2
Warshel, A.3
-
132
-
-
0037473550
-
-
M.H.M. Olsson, G.Y. Hong, A. Warshel, J. Am. Chem. Soc, 125, (2003) 5025.
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 5025
-
-
Olsson, M.H.M.1
Hong, G.Y.2
Warshel, A.3
-
133
-
-
33745951988
-
-
deMon:Program:Version:l_2:2003, NRC, Canada
-
deMon:Program:Version:l_2:2003, A. M. Köster, R. Flores-Moreno, G. Geudtner, A. Goursot, T. Heine, J. U. Révèles, A. Vela, D. R. Salahub, deMon 2003, NRC, Canada.
-
(2003)
deMon
-
-
Köster, A.M.1
Flores-Moreno, R.2
Geudtner, G.3
Goursot, A.4
Heine, T.5
Révèles, J.U.6
Vela, A.7
Salahub, D.R.8
-
134
-
-
20644438873
-
-
G. te Velde, F.M. Bickelhaupt, E.J. Baerends, C. Fonseca Guerra, S.J.A. van Gis-bergen, J.G. Snijders, T. Ziegler, J. Comput. Chem., 22 (2001) 931.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 931
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
Baerends, E.J.3
Fonseca Guerra, C.4
van Gis-bergen, S.J.A.5
Snijders, J.G.6
Ziegler, T.7
-
135
-
-
85115912830
-
-
Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
-
ADF 2003.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com.
-
ADF 2003.01, SCM
-
-
-
140
-
-
0004274864
-
-
F. Combes, G. Pineau des Forêts, Eds.; Cambridge University Press: Cambridge
-
Molecular Hydrogen in Space; F. Combes, G. Pineau des Forêts, Eds.; Cambridge University Press: Cambridge, 2000.
-
(2000)
Molecular Hydrogen in Space;
-
-
-
141
-
-
0030946437
-
-
A.C. Dillon, K.M. Jones, T.A. Bekkedahl, CH. Kiang, D.S. Bethune, M.J. Heben, Nature, 386 (1997) 377.
-
(1997)
Nature
, vol.386
, pp. 377
-
-
Dillon, A.C.1
Jones, K.M.2
Bekkedahl, T.A.3
Kiang, C.H.4
Bethune, D.S.5
Heben, M.J.6
-
142
-
-
0033516495
-
-
P. Chen, X. Wu, J. Lin, K.L. Tan, Science, 285 (1999), 91.
-
(1999)
Science
, vol.285
, pp. 91
-
-
Chen, P.1
Wu, X.2
Lin, J.3
Tan, K.L.4
-
143
-
-
11144353604
-
-
O. Hübner, A. Glöss, M. Fichtner, W. Klopper, J. Phys. Chem. A, 108 (2004) 3019.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 3019
-
-
Hübner, O.1
Glöss, A.2
Fichtner, M.3
Klopper, W.4
-
144
-
-
85036720180
-
-
Special issue: National Research Program " Supramolecular Functional Materials”, September
-
T. Jenny, VISION Le magasin suisse de la science et de l’innovation, Special issue: National Research Program " Supramolecular Functional Materials” (2002), September, 32.
-
(2002)
VISION Le magasin suisse de la science et de l’innovation
, pp. 32
-
-
Jenny, T.1
-
145
-
-
0000383062
-
-
L.B. Knight Jr., C.B. Cleveland, R.F. Frey, E.R. Davidson, J. Chem. Phys., 100 (1994) 7867.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7867
-
-
Knight, L.B.1
Cleveland, C.B.2
Frey, R.F.3
Davidson, E.R.4
-
148
-
-
0001600584
-
-
F.S. Richardson, M.F. Reid, J.J. Dallara, R.D. Smith, J. Chem. Phys, 83 (1985) 3813.
-
(1985)
J. Chem. Phys
, vol.83
, pp. 3813
-
-
Richardson, F.S.1
Reid, M.F.2
Dallara, J.J.3
Smith, R.D.4
-
149
-
-
7444262461
-
-
in, Ed. J. Leszczynski, World Scientific Publishing Company, Singapore
-
M. Atanasov, CA. Daul, H.-U. Giidel, in Computational Chemistry: Reviews of Current Trends, Vol.9, Ed. J. Leszczynski, World Scientific Publishing Company, Singapore, 2004.
-
(2004)
Computational Chemistry: Reviews of Current Trends
, vol.9
-
-
Atanasov, M.1
Daul, C.A.2
Giidel, H.-U.3
-
150
-
-
17544384407
-
-
M. Atanasov, C. Daul, H.U. Gudel, T.A. Wesolowski, M. Zbiri, Inorg. Chem., 44 (2005) 2954.
-
(2005)
Inorg. Chem.
, vol.44
, pp. 2954
-
-
Atanasov, M.1
Daul, C.2
Gudel, H.U.3
Wesolowski, T.A.4
Zbiri, M.5
-
151
-
-
7444234781
-
-
M. Zbiri, M. Atanasov, C. Daul, J.-M. Garcia Lastra, T.A. Wesolowski, Chem. Phys. Lett, 397, (2004) 441.
-
(2004)
Chem. Phys. Lett
, vol.397
, pp. 441
-
-
Zbiri, M.1
Atanasov, M.2
Daul, C.3
Garcia Lastra, J.-M.4
Wesolowski, T.A.5
-
152
-
-
24344440099
-
-
S.A. de Monte, T. Muller, M. Dallos, H. Lischka, M. Diedenhofen, A. Klamt, Theor. Chem. Ace, 111 (2004) 78.
-
(2004)
Theor. Chem. Ace
, vol.111
, pp. 78
-
-
de Monte, S.A.1
Muller, T.2
Dallos, M.3
Lischka, H.4
Diedenhofen, M.5
Klamt, A.6
-
162
-
-
0000211269
-
-
P.R.T. Schipper, O.V. Gritsenko, S.J.A. van Gisbergen, E.J. Baerends, J. Chem. Phys., 112 (2000) 1344.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1344
-
-
Schipper, P.R.T.1
Gritsenko, O.V.2
van Gisbergen, S.J.A.3
Baerends, E.J.4
-
164
-
-
24944551998
-
-
J. Neugebauer, CR. Jacob, T.A. Wesolowski, E.J. Baerends J. Phys. Chem. A, 109 (2005) 7805.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 7805
-
-
Neugebauer, J.1
Jacob, C.R.2
Wesolowski, T.A.3
Baerends, E.J.4
-
165
-
-
25444472357
-
-
J. Neugebauer, M.J. Louwerse, P. Belanzoni, T.A. Wesolowski, E. J. Baerends, J. Chem. Phys., 123 (2005) 114101.
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 114101
-
-
Neugebauer, J.1
Louwerse, M.J.2
Belanzoni, P.3
Wesolowski, T.A.4
Baerends, E.J.5
-
166
-
-
85115939631
-
-
In: A Primer in Density Functional Theory, C. Fiolhais, F. Nogueira, M. Marques, Eds, Springer Verlag
-
E. Engel, Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals. In: A Primer in Density Functional Theory, C. Fiolhais, F. Nogueira, M. Marques, Eds. pp. 55-122, Springer Verlag, 2003.
-
(2003)
Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals.
, pp. 55-122
-
-
Engel, E.1
-
167
-
-
22944464792
-
-
R.J. Bartlett, I. Grabowski, S. Hirata, S. Ivanov, J. Chem. Phys., 122 (2005) 034104.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 034104
-
-
Bartlett, R.J.1
Grabowski, I.2
Hirata, S.3
Ivanov, S.4
-
172
-
-
84981642636
-
-
P. Cortona, A. Villafiorita Monteleone, P. Becker, Int. J. Quantum Chem., 56, (1995) 831.
-
(1995)
Int. J. Quantum Chem.
, vol.56
, pp. 831
-
-
Cortona, P.1
Villafiorita Monteleone, A.2
Becker, P.3
-
177
-
-
0030270162
-
-
M.J. Mehl, H.T. Stokes, L.L. Boyer, J. Phys. Chem. Solids, 57, (1996) 1405.
-
(1996)
J. Phys. Chem. Solids
, vol.57
, pp. 1405
-
-
Mehl, M.J.1
Stokes, H.T.2
Boyer, L.L.3
-
178
-
-
0001159488
-
-
H.T. Stokes, L.L. Boyer, M.J. Mehl, Phys. Rev. B, 54, (1996) 7729.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 7729
-
-
Stokes, H.T.1
Boyer, L.L.2
Mehl, M.J.3
-
179
-
-
0030609260
-
-
L.L. Boyer, H.T. Stokes, M.J. Mehl, Ferroelectrics, 194, (1997) 173.
-
(1997)
Ferroelectrics
, vol.194
, pp. 173
-
-
Boyer, L.L.1
Stokes, H.T.2
Mehl, M.J.3
-
180
-
-
0000817855
-
-
L.L. Boyer, H.T. Stokes, M.J. Mehl, Phys. Rev. Lett, 84, (2000) 709.
-
(2000)
Phys. Rev. Lett
, vol.84
, pp. 709
-
-
Boyer, L.L.1
Stokes, H.T.2
Mehl, M.J.3
-
181
-
-
0001209976
-
-
W.N. Mei, L.L. Boyer, M.J. Mehl, M.M. Ossowski, H.T. Stokes, Phys. Rev. B, 61, (2000) 11425.
-
(2000)
Phys. Rev. B
, vol.61
, pp. 11425
-
-
Mei, W.N.1
Boyer, L.L.2
Mehl, M.J.3
Ossowski, M.M.4
Stokes, H.T.5
-
182
-
-
0036967698
-
-
M.M. Ossowski, L.L. Boyer, M.J. Mehl, H. T. Stokes, Phys. Rev. B, 66, (2002) 224302.
-
(2002)
Phys. Rev. B
, vol.66
, pp. 224302
-
-
Ossowski, M.M.1
Boyer, L.L.2
Mehl, M.J.3
Stokes, H.T.4
-
186
-
-
85101790173
-
-
H. Zheng, Physica B, 212 (1995) 125.
-
(1995)
Physica B
, vol.212
, pp. 125
-
-
Zheng, H.1
-
189
-
-
0000001081
-
-
H. Zheng, B.K. Rao, S.N. Khanna, P. Jena, Phys. Rev. B, 55 (2000) 4174.
-
(2000)
Phys. Rev. B
, vol.55
, pp. 4174
-
-
Zheng, H.1
Rao, B.K.2
Khanna, S.N.3
Jena, P.4
-
192
-
-
20344388522
-
-
N. Choly, G. Lu, E. Weinan, E. Kaxiras, Phys. Rev. B, 71 (2005) 094101.
-
(2005)
Phys. Rev. B
, vol.71
, pp. 094101
-
-
Choly, N.1
Lu, G.2
Weinan, E.3
Kaxiras, E.4
-
193
-
-
17044393550
-
-
F. Shimojo, R.K. Kalia, A. Nakano, P. Vashishta, Computer Phys. Comm., 167151.
-
Computer Phys. Comm.
, vol.167
, pp. 151
-
-
Shimojo, F.1
Kalia, R.K.2
Nakano, A.3
Vashishta, P.4
-
194
-
-
0000025761
-
-
N. Govind, Y.A. Wang, A.J.R. da Silva, E.A. Carter, Chem. Phys. Lett, 295 (1998) 129.
-
(1998)
Chem. Phys. Lett
, vol.295
, pp. 129
-
-
Govind, N.1
Wang, Y.A.2
da Silva, A.J.R.3
Carter, E.A.4
-
196
-
-
0035948044
-
-
T. Klüner, N. Govind, Y.A. Wang, E.A. Carter, Phys. Rev. Lett, 86 (2001) 5954.
-
(2001)
Phys. Rev. Lett
, vol.86
, pp. 5954
-
-
Klüner, T.1
Govind, N.2
Wang, Y.A.3
Carter, E.A.4
-
197
-
-
0036143738
-
-
T. Klüner, N. Govind, Y.A. Wang, E.A. Carter, J. Chem. Phys., 116 (2002) 42.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 42
-
-
Klüner, T.1
Govind, N.2
Wang, Y.A.3
Carter, E.A.4
|