-
11
-
-
0002540271
-
-
Amsterdam Density Functional, ADF relase 2.1, Theoretical Chemistry, Vrije Universiteit, Amsterdam
-
Fonesca Guerra C., et al. METECC 95 (1995) 305 Amsterdam Density Functional, ADF relase 2.1, Theoretical Chemistry, Vrije Universiteit, Amsterdam
-
(1995)
METECC
, vol.95
, pp. 305
-
-
Fonesca Guerra, C.1
-
12
-
-
34447260582
-
-
DMol is a registered software product of Molecular Simulations Inc. San Diego. The computational method is described by
-
Delley B. J. Chem. Phys. 92 (1990) 508 DMol is a registered software product of Molecular Simulations Inc. San Diego. The computational method is described by
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 508
-
-
Delley, B.1
-
13
-
-
0000244735
-
-
A. St-Amant, These de doctorat, Université de Montreal, 1992. DMon is described by
-
St-Amant A., and Salahub D.R. Chem. Phys. Lett. 169 (1990) 387 A. St-Amant, These de doctorat, Université de Montreal, 1992. DMon is described by
-
(1990)
Chem. Phys. Lett.
, vol.169
, pp. 387
-
-
St-Amant, A.1
Salahub, D.R.2
-
14
-
-
77956752027
-
-
Gaussian Inc., Pittsburgh PA Gaussian Gaussian 94, Version B.3
-
Frisch M.J., et al., Pople J.A. Atomic Structure Calculations (1995), Gaussian Inc., Pittsburgh PA Gaussian Gaussian 94, Version B.3
-
(1995)
Atomic Structure Calculations
-
-
Frisch, M.J.1
-
27
-
-
77956768868
-
-
The Society of DV-Xα, H. Adachi, Dept of Materials Science and Engineering, Kyoto University Yoshidahonmachi, Sakyo-ku, Kyoto 606-01, Japan.
-
The Society of DV-Xα, H. Adachi, Dept of Materials Science and Engineering, Kyoto University Yoshidahonmachi, Sakyo-ku, Kyoto 606-01, Japan.
-
-
-
-
32
-
-
51149210200
-
-
There are various reviews which demonstrate the strength (and weakness) of the DFT, for example: R.G. Parr, W. Yang, Density-Functional Theory of Atoms and Molecules Oxford University Press (1989). R.M. Dreizler, E.K.U. Gross, Density-Functional Theory An Approach to the Quantum Many Body Problem Springer-Verlag 1990.
-
Jones R.O., and Gunnarsson O. Rev. Mod. Phys. 61 (1989) 689 There are various reviews which demonstrate the strength (and weakness) of the DFT, for example: R.G. Parr, W. Yang, Density-Functional Theory of Atoms and Molecules Oxford University Press (1989). R.M. Dreizler, E.K.U. Gross, Density-Functional Theory An Approach to the Quantum Many Body Problem Springer-Verlag 1990.
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 689
-
-
Jones, R.O.1
Gunnarsson, O.2
-
60
-
-
11944256577
-
-
M.C. Payne M.P. Teter D.C. Allan T.A. Arias J.D. Joannopoulos Review papers on the Car-Parrinello, and related ab initio molecular dynamics methods are:
-
Rev. Mod. Phys. 64 (1992) 1045 M.C. Payne M.P. Teter D.C. Allan T.A. Arias J.D. Joannopoulos Review papers on the Car-Parrinello, and related ab initio molecular dynamics methods are:
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
-
62
-
-
0000251686
-
-
W. Andreoni G. Pastore
-
Phys. Rev. B41 (1990) 10243 W. Andreoni G. Pastore
-
(1990)
Phys. Rev.
, vol.B41
, pp. 10243
-
-
-
63
-
-
3342880989
-
-
U. Röthlisberger W.Andreoni M. Parrinello
-
Phys. Rev. Lett. 72 (1994) 665 U. Röthlisberger W.Andreoni M. Parrinello
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 665
-
-
-
67
-
-
77956781322
-
-
W. Andreoni
-
Z. Phys. D19 (1991) 31 W. Andreoni
-
(1991)
Z. Phys.
, vol.D19
, pp. 31
-
-
-
69
-
-
24244480193
-
-
W. Andreoni F. Gygi M. Parrinello
-
Chem. Phys. Lett. 190 (1992) 159 W. Andreoni F. Gygi M. Parrinello
-
(1992)
Chem. Phys. Lett.
, vol.190
, pp. 159
-
-
-
70
-
-
0001565065
-
-
K. Laasonen W. Andreoni M. Parrinello
-
Science 258 (1992) 1916 K. Laasonen W. Andreoni M. Parrinello
-
(1992)
Science
, vol.258
, pp. 1916
-
-
-
71
-
-
0030195603
-
-
W. Andreoni A. Curioni
-
Phys. Rev. Lett. 77 (1996) 834 W. Andreoni A. Curioni
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 834
-
-
-
72
-
-
77956775974
-
-
Sugano S., Nishina Y., and Ohnishi S. (Eds), Springer, Berlin
-
Car R., Parrinello M., and Andreoni W. In: Sugano S., Nishina Y., and Ohnishi S. (Eds). Fundamental Approach to New Materials Phases: Microclusters (1987), Springer, Berlin
-
(1987)
Fundamental Approach to New Materials Phases: Microclusters
-
-
Car, R.1
Parrinello, M.2
Andreoni, W.3
-
73
-
-
77956759370
-
-
H. Grönbeck, On the structure of and bonding in metal clusters PhD Thesis, Göteborg University 1996.
-
H. Grönbeck, On the structure of and bonding in metal clusters PhD Thesis, Göteborg University 1996.
-
-
-
-
77
-
-
77956941741
-
-
Ehrenreich H., and Turnbull D. (Eds), Academic Press, New York
-
de Heer W.A., Knight W.A., Chou M.Y., and Cohen M.L. In: Ehrenreich H., and Turnbull D. (Eds). Solid State Physics 40 (1987), Academic Press, New York 93
-
(1987)
Solid State Physics
, vol.40
, pp. 93
-
-
de Heer, W.A.1
Knight, W.A.2
Chou, M.Y.3
Cohen, M.L.4
-
80
-
-
0011714847
-
-
Knight W., Clemenger K., de Heer W.A., Saunders W., Chou M., and Cohen M. Phys. Rev. Lett. 52 (1984) 2141
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 2141
-
-
Knight, W.1
Clemenger, K.2
de Heer, W.A.3
Saunders, W.4
Chou, M.5
Cohen, M.6
-
96
-
-
0000949861
-
-
Matthias E., Nielsen H.B., Reif J., Rosén A., and Westin E. J. Vac. Sci. Technol. B 5 (1987) 1415
-
(1987)
J. Vac. Sci. Technol.
, vol.B 5
, pp. 1415
-
-
Matthias, E.1
Nielsen, H.B.2
Reif, J.3
Rosén, A.4
Westin, E.5
-
97
-
-
0010736515
-
-
Rosén A., Westin E., Matthias E., Nielsen H.B., and Reif J. Physica Scripta T23 (1988) 184
-
(1988)
Physica Scripta
, vol.T23
, pp. 184
-
-
Rosén, A.1
Westin, E.2
Matthias, E.3
Nielsen, H.B.4
Reif, J.5
-
98
-
-
77956789321
-
Desorption Induced by Electronic Transitions, DIET IV
-
E. Westin, A. Rosén and E. Matthias, in Desorption Induced by Electronic Transitions, DIET IV, Springer Series in Surface Science, Vol. 19.
-
Springer Series in Surface Science
, vol.19
-
-
Westin, E.1
Rosén, A.2
Matthias, E.3
-
105
-
-
0003980627
-
-
Academic Press, Inc, San Diego
-
Boyd R.W. Nonlinear Optics (1993), Academic Press, Inc, San Diego
-
(1993)
Nonlinear Optics
-
-
Boyd, R.W.1
-
113
-
-
44049113875
-
-
Gensterblum G., Yu L.-Ming., Pireaux J.J., Thiry P.A., Caudano R., Lambin Ph., Lucas A.A., Krätschmer W., and Fischer J.E. J. Phys. Chem. Solids. 53 (1992) 1427
-
(1992)
J. Phys. Chem. Solids.
, vol.53
, pp. 1427
-
-
Gensterblum, G.1
Yu, L.-Ming.2
Pireaux, J.J.3
Thiry, P.A.4
Caudano, R.5
Lambin, Ph.6
Lucas, A.A.7
Krätschmer, W.8
Fischer, J.E.9
-
119
-
-
77956771534
-
-
ISSPIC 1
-
ISSPIC 1. J. Phys. 38 (1977)
-
(1977)
J. Phys.
, vol.38
-
-
-
120
-
-
77956760237
-
-
ISSPIC 2
-
ISSPIC 2. Surf. Sci. 106 (1981)
-
(1981)
Surf. Sci.
, vol.106
-
-
-
121
-
-
77956751271
-
-
ISSPIC 3
-
ISSPIC 3. Surf. Sci. 156 (1981)
-
(1981)
Surf. Sci.
, vol.156
-
-
-
122
-
-
77956716471
-
-
ISSPIC 4
-
ISSPIC 4. Z. Phys. D 12 (1989)
-
(1989)
Z. Phys.
, vol.D 12
-
-
-
123
-
-
77956738660
-
-
ISSPIC 5
-
ISSPIC 5. Z. Phys. D 19 (1991)
-
(1991)
Z. Phys.
, vol.D 19
-
-
-
124
-
-
77956769690
-
-
ISSPIC 6
-
ISSPIC 6. Z. Phys. D 26 (1993)
-
(1993)
Z. Phys.
, vol.D 26
-
-
-
126
-
-
1542680373
-
-
ISSPIC 8
-
ISSPIC 8. Z. Phys. D (1997)
-
(1997)
Z. Phys. D
-
-
-
139
-
-
1542743726
-
-
Kroto H.W., Heath J.R., O'Brien S.C., Curl R.F., and Smalley R.E. Nature 318 (1985) 162
-
(1985)
Nature
, vol.318
, pp. 162
-
-
Kroto, H.W.1
Heath, J.R.2
O'Brien, S.C.3
Curl, R.F.4
Smalley, R.E.5
-
140
-
-
0342819025
-
-
Ijima S. Nature 354 (1991) 56
-
(1991)
Nature
, vol.354
, pp. 56
-
-
Ijima, S.1
-
141
-
-
0027125463
-
-
Ugarte D. Nature 359 (1992) 707
-
(1992)
Nature
, vol.359
, pp. 707
-
-
Ugarte, D.1
-
154
-
-
77956748985
-
-
University of Warwick December 12-14
-
Echt O., Kandler O., Leisner T., Miehle W., and Recknagel E. Faraday Symposium No. 25 on Large gas phase Clusters (1989), University of Warwick December 12-14
-
(1989)
Faraday Symposium No. 25 on Large gas phase Clusters
-
-
Echt, O.1
Kandler, O.2
Leisner, T.3
Miehle, W.4
Recknagel, E.5
-
164
-
-
77956769297
-
-
J. Phys. Chem. 88 (1983) 4497
-
(1983)
J. Phys. Chem.
, vol.88
, pp. 4497
-
-
-
174
-
-
33751141399
-
60 : Buckminsterfullerene, The Celestical Sphere that Fell to Earth
-
60 : Buckminsterfullerene, The Celestical Sphere that Fell to Earth. Angew. Chem. 31 (1992) 111
-
(1992)
Angew. Chem.
, vol.31
, pp. 111
-
-
Kroto, H.1
-
176
-
-
0004373161
-
-
Carbon 30 (1992) 1139
-
(1992)
Carbon
, vol.30
, pp. 1139
-
-
-
177
-
-
77956783449
-
-
World Scientific, Singapore
-
Kumar V., Martin T.P., and Tosatti E. Clusters and Fullerenes, Proc. Adriatico. Res. Conf. (1992), World Scientific, Singapore
-
(1992)
Clusters and Fullerenes, Proc. Adriatico. Res. Conf.
-
-
Kumar, V.1
Martin, T.P.2
Tosatti, E.3
-
179
-
-
77956720868
-
-
Fullerenes H. Kroto, Nov
-
Fullerenes. MRS Bulletin XIX 11 (1994) H. Kroto, Nov
-
(1994)
MRS Bulletin
, vol.XIX
, Issue.11
-
-
-
181
-
-
0003895123
-
-
Pergamon Press, Exeter, Great Britain
-
Kroto H.W., Fischer J.E., and Cox D.E. The Fullerenes (1993), Pergamon Press, Exeter, Great Britain
-
(1993)
The Fullerenes
-
-
Kroto, H.W.1
Fischer, J.E.2
Cox, D.E.3
-
186
-
-
0004329012
-
-
Oxford University Press, Oxford
-
Baggott J. Perfect Symmetry (1996), Oxford University Press, Oxford
-
(1996)
Perfect Symmetry
-
-
Baggott, J.1
-
189
-
-
0000136976
-
-
Martin T.P., Malinowski N., Zimmermann U., Näher U., and Schaber H. J. Chem. Phys. 99 (1993) 4210
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 4210
-
-
Martin, T.P.1
Malinowski, N.2
Zimmermann, U.3
Näher, U.4
Schaber, H.5
-
192
-
-
0000421806
-
-
Hedberg K., Hedberg L., Bethune D.S., Brown C.A., Dorn H.C., Johnson R.D., and de Vries M. Science 254 (1991) 410
-
(1991)
Science
, vol.254
, pp. 410
-
-
Hedberg, K.1
Hedberg, L.2
Bethune, D.S.3
Brown, C.A.4
Dorn, H.C.5
Johnson, R.D.6
de Vries, M.7
|