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[资源] PhD Theses related to ADF

Theses
PhD Theses related to ADF
Topic Author Year Download
Hypervalence and Aromaticity Simon Pierrefixe 2008 pdf
Computational Modeling of Oxidation Catalysis Manuel Louwerse 2008 pdf
Frozen-Density Embedding Christoph Jacob 2007 pdf
Theoretical Studies on Catalytic Bond Activation Theodoor de Jong 2007 pdf
Computational Studies in Actinide Chemistry Ivan Infante 2006 pdf
Time-dependent current DFT for molecules Meta van Faassen 2005 pdf
Optical Properties of Nanostructures Lasse Jensen 2004 pdf
Improved XC functionals Myrta Grüning 2003 pdf
DFT applied to copper proteins Marcel Swart 2002 pdf
DNA, parallelization and linearization of ADF Célia Fonseca Guerra 2000 pdf
Correlation in DFT (theory) Pieter Schipper 1999 MSWord
Time-Dependent DFT Stan van Gisbergen 1998 pdf
QM/MM Tom K. Woo 1998 MSWord
NMR/ESR Georg Schreckenbach 1996 MSWord
ZORA Erik van Lenthe 1996 pdf
Intrinsic Reaction Coordinate Liqun Deng 1996 RTF
Second Energy Derivatives Heiko Jacobsen 1995 RTF
Coupled Perturbed Kohn-Sham Attila Bérces 1995 RTF
Kohn-Sham potentials in DFT Robert van Leeuwen 1994 pdf
Nonlocal Energy Gradients and Vibrational Spectra Fan Liangyou 1992 RTF
Relativistic Effects in Atoms and Molecules Egbert van Wezenbeek 1992 pdf
Energy Gradients Louis Versluis 1990 RTF

PhD Theses related to BAND
Topic Author Year Download
Time-dependent current-density-functional theory for metals Pina Romaniello 2006 pdf
Current-density functionals in extended systems Arjan Berger 2006 pdf
Time-dependent density functional theory for periodic systems Freddie Kootstra 2001 pdf
Solids and surfaces Pier Philipsen 2001 Postscript
Potential Energy Surfaces and Dynamics for Hydrogen on Pd(111) Roar Olsen 1998 PostScript
Band Bert te Velde 1990 MSWord,RTF,pdf
http://www.scm.com/Doc/theses.html

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