-
4
-
-
0009354724
-
-
Blöchl, P. E., Joachim, C., Fisher, A. J., Eds.; Series E: Applied Sciences; Kluwer: Dordrecht
-
Fisher, A. J.; Blöchl, P. E. In Computations for the Nano-Scale Blöchl, P. E., Joachim, C., Fisher, A. J., Eds.; Series E: Applied Sciences; Kluwer: Dordrecht, 1993, Vol. 240, pp 185-197.
-
(1993)
Computations for the Nano-Scale
, vol.240
, pp. 185-197
-
-
Fisher, A.J.1
Blöchl, P.E.2
-
5
-
-
1542792358
-
-
Nesper, R.; Vogel, K.; Blöchl, P. E. Angew. Chem. Int'l. Ed. Engl. 1993, 32, 768.
-
(1993)
Angew. Chem. Int'l. Ed. Engl.
, vol.32
, pp. 768
-
-
Nesper, R.1
Vogel, K.2
Blöchl, P.E.3
-
6
-
-
0009354724
-
-
Blöchl, P. E.; Joachim, C.; Fisher, A. J., Eds.; Series E: Applied Sciences; Kluwer: Dordrecht
-
Margl, P.; Schwarz, K.; Blöchl, P. E. In Computations for the Nano-Scale Blöchl, P. E.; Joachim, C.; Fisher, A. J., Eds.; Series E: Applied Sciences; Kluwer: Dordrecht, 1993, Vol. 240, pp. 153-162.
-
(1993)
Computations for the Nano-Scale
, vol.240
, pp. 153-162
-
-
Margl, P.1
Schwarz, K.2
Blöchl, P.E.3
-
7
-
-
0002980029
-
-
Margl, P.; Schwarz, K.; Blöchl, P. E. J. Chem. Phys. 1994, 100, 8194.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 8194
-
-
Margl, P.1
Schwarz, K.2
Blöchl, P.E.3
-
8
-
-
0000154233
-
-
Margl, P.; Schwarz, K.; Blöchl, P. E. J. Amer. Chem. Soc. 1994, 116, 11177.
-
(1994)
J. Amer. Chem. Soc.
, vol.116
, pp. 11177
-
-
Margl, P.1
Schwarz, K.2
Blöchl, P.E.3
-
9
-
-
0000227867
-
-
Margl, P.; Schwarz, K.; Blöchl, P. E. J. Chem. Phys. 1995, 103, 683.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 683
-
-
Margl, P.1
Schwarz, K.2
Blöchl, P.E.3
-
10
-
-
1542582316
-
-
Carloni, P.; Blöchl, P. E.; Parrinello, M. J. Phys. Chem. 1995, 99, 1339.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1339
-
-
Carloni, P.1
Blöchl, P.E.2
Parrinello, M.3
-
11
-
-
0001418525
-
-
Meyer, M.; Pontikis, V., Eds.; Series E: Applied Sciences; Kluwer: Dordrecht
-
Galli, G.; Parrinello, M. In Computer Simulation in Materials Science, Meyer, M.; Pontikis, V., Eds.; Series E: Applied Sciences; Kluwer: Dordrecht, 1991, Vol. 205, pp. 283-304.
-
(1991)
Computer Simulation in Materials Science
, vol.205
, pp. 283-304
-
-
Galli, G.1
Parrinello, M.2
-
12
-
-
11944256577
-
-
Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045.
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
16
-
-
84990642715
-
-
Hartke, B.; Gibson, D. A.; Carter, E. A. Int. J. Quant. Chem. 1993, 45, 59.
-
(1993)
Int. J. Quant. Chem.
, vol.45
, pp. 59
-
-
Hartke, B.1
Gibson, D.A.2
Carter, E.A.3
-
19
-
-
0002770409
-
-
Ciccotti, G.; Hoover, W. G., Eds.; Varenna Notes; North-Holland: Amsterdam
-
Berendsen, H. J. C.; van Gunsteren, W. F. In Molecular-Dynamics Simulation of Statistical-Mechanical Systems, Ciccotti, G.; Hoover, W. G., Eds.; Varenna Notes; North-Holland: Amsterdam, 1983, Vol. 97, p. 43.
-
(1983)
Molecular-Dynamics Simulation of Statistical-Mechanical Systems
, vol.97
, pp. 43
-
-
Berendsen, H.J.C.1
Van Gunsteren, W.F.2
-
22
-
-
0000337910
-
-
Pastore, G.; Smargiassi, E.; Buda, F. Phys. Rev. A 1991, 44, 6334.
-
(1991)
Phys. Rev. A
, vol.44
, pp. 6334
-
-
Pastore, G.1
Smargiassi, E.2
Buda, F.3
-
24
-
-
24544460330
-
-
Hamann, D. R.; Schlüter, M.; Chiang, C. Phys. Rev. Lett. 1979, 43, 1494.
-
(1979)
Phys. Rev. Lett.
, vol.43
, pp. 1494
-
-
Hamann, D.R.1
Schlüter, M.2
Chiang, C.3
-
30
-
-
0011135892
-
-
W. F.; Weiner, P. K.; Wilkinson, A. J., Eds.; Escom: Leiden
-
Field, M. J. In Computer Simulations of Biomolecular Systems Gunsteren, W. F.; Weiner, P. K.; Wilkinson, A. J., Eds.; Escom: Leiden, 1993, Vol. 2, pp. 82-123.
-
(1993)
Computer Simulations of Biomolecular Systems Gunsteren
, vol.2
, pp. 82-123
-
-
Field, M.J.1
-
32
-
-
0001075346
-
-
Purdum, H.; Montano, P. A.; Shenoy, G. K.; Morrison, T. Phys. Rev. B 1982, 25, 4412.
-
(1982)
Phys. Rev. B
, vol.25
, pp. 4412
-
-
Purdum, H.1
Montano, P.A.2
Shenoy, G.K.3
Morrison, T.4
-
33
-
-
1542582310
-
-
unpublished LAPW result in a 6.21×6.21×6.35 Å unit cell
-
Sarnthein, J. unpublished LAPW result in a 6.21×6.21×6.35 Å unit cell, 1992.
-
(1992)
-
-
Sarnthein, J.1
-
38
-
-
36449006168
-
-
Barnes, L. A.; Rosi, M.; Bauschlicher, C. W. J. Chem. Phys. 1991, 94, 2031.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 2031
-
-
Barnes, L.A.1
Rosi, M.2
Bauschlicher, C.W.3
-
44
-
-
0345508963
-
-
Berces, A.; Ziegler, T.; Fan, L. J. Phys. Chem. 1994, 98, 1584.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1584
-
-
Berces, A.1
Ziegler, T.2
Fan, L.3
-
47
-
-
0001085462
-
-
Nugent, K. W.; Beattie, J. K.; Field, L. D. J. Phys. Chem. 1989, 93, 5371.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 5371
-
-
Nugent, K.W.1
Beattie, J.K.2
Field, L.D.3
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