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4
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0003867643
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University of Torino, Torino
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V.R. Saunders, R. Doves, C. Roetti, M. Causá, N.M. Harrison, R. Orlando, C.M. Zicovich Wilson, Crystal98 1.0 - user's manual, University of Torino, Torino, 1999.
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(1999)
Crystal98 1.0 - User's Manual
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Saunders, V.R.1
Doves, R.2
Roetti, C.3
Causá, M.4
Harrison, N.M.5
Orlando, R.6
Zicovich Wilson, C.M.7
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5
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0003417617
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Austria: Karlheinz Schwarz, Techn. Universität Wien
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Blaha P., Schwarz K., Madsen G., Kvasnicka D., Luit J. WIEN2k, an augmented plane wave.+local orbitals program for calculating crystal properties:2001;Karlheinz Schwarz, Techn. Universität Wien, Austria.
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(2001)
WIEN2k, an Augmented Plane Wave+Local Orbitals Program for Calculating Crystal Properties
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Blaha, P.1
Schwarz, K.2
Madsen, G.3
Kvasnicka, D.4
Luit, J.5
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12
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0141913399
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note
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XYZ format was the native format of the XMOL program developed by the Network Computing Services, Inc. The XMOL program is not developed anymore.
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14
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0141878644
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Gaussian, Inc., Pittsburgh PA, 1995
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M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
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15
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0037179801
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Kokalj A., Dal Corso A., de Gironcoli S., Baroni S. J. Phys. Chem. B. 106:2002;9839 Kokalj A., Dal Corso A., de Gironcoli S., Baroni S. Surf. Sci. 532-535:2003;191.
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(2002)
J. Phys. Chem. B
, vol.106
, pp. 9839
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Kokalj, A.1
Dal Corso, A.2
De Gironcoli, S.3
Baroni, S.4
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16
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0037850012
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Kokalj A., Dal Corso A., de Gironcoli S., Baroni S. J. Phys. Chem. B. 106:2002;9839 Kokalj A., Dal Corso A., de Gironcoli S., Baroni S. Surf. Sci. 532-535:2003;191.
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(2003)
Surf. Sci.
, vol.532-535
, pp. 191
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Kokalj, A.1
Dal Corso, A.2
De Gironcoli, S.3
Baroni, S.4
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19
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0141878643
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P. Bourke, Modelling, Accessible on WEB site: 〈http://astronomy.swin.edu.au/̃pbourke/modelling/〉.
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Modelling
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Bourke, P.1
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20
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0141878645
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while information about [Incr Tk] can be found on Web site: 〈http://incrtcl.sourceforge.net/itk/〉
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Information about [Incr Tcl] can be found on the Web site: 〈http://incrtcl.sourceforge.net/itcl/〉 while information about [Incr Tk] can be found on Web site: 〈http://incrtcl.sourceforge.net/itk/〉.
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