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` ...
http://aaa.lanl.gov/qtlyreports/AMJ2002.pdf
Part II ...
http://abulafia.mt.ic.ac.uk/publications/theses/kjwa/chapter3.pdf
PNNL-11589 ...
http://apollo.osti.gov/em52/1997projsum/54684.pdf
` ...
http://apt.lanl.gov/qtlyreports/AMJ2002.pdf
...
http://dfw.nims.go.jp/jst/pdb/element/element3.html
Proceedings of the UK e-Science All Hands Meeting 2004, © EPSRC Sept 2004, ISBN ...
http://eminerals.esc.cam.ac.uk/eminerals/documents/papers/AHM_Science_2004.
General Utility Lattice Program ...
http://gulp.curtin.edu.au/manuals/gulp1.3_manual.pdf
Phys. Rev. 151, 657 (1966): Fowler - Influence of Electronic Polarization......
http://link.aps.org/doi/10.1103/PhysRev.151.657
Phys. Rev. Lett. 75, 4658 (1995): van den Brink et al. - New Phases in an......
http://link.aps.org/doi/10.1103/PhysRevLett.75.4658
...
http://main.amu.edu.pl/~magchem/GULP/gman.html
Part II ...
http://pc153.mt.ic.ac.uk/publications/theses/kjwa/chapter3.pdf
Materials ...
http://pubs.rsc.org/ej/JM/2000/B004212I.pdf
Configurational Lattice Dynamics and Hybrid Monte Carlo Approaches to ...
http://quimica.unp.edu.ar/gdb/papers/theochem1.ps
LOCAL EXCITATIONS AND MAGNETISM ...
http://theochem.chem.rug.nl/publications/PDF/ft325.pdf
30 April 1999 ...
http://truong.hec.utah.edu/E-papers/1999-CPL-304-258.pdf
J. Phys.: Condens. Matter 12 (2000) R177R206. Printed in the UK PII: S0953-8984...
http://veof1.lcam.u-psud.fr/docs/Review_JPhysC_12_2000_R177.pdf
Surface Science 424 (1999) 1927 ...
http://w3.rz-berlin.mpg.de/~schwarz/Cdrom/Lit/surface-science424-19.pdf
DOE Catalysis Research - 1999 Workshop...
http://www.catalysis.anl.gov/posters1.html
Paul Sherwood ...
http://www.cfs.dl.ac.uk/tutorials/chemshell4_2001/chemshell4.pdf
Publications (1981-1990)...
http://www.cmmp.ucl.ac.uk/~ak/pub3.htm
QM/MM Methods ...
http://www.dl.ac.uk/CFS/tutorials/chemshell_workshop/chemshell_workshop.pdf
{ E C L ...
http://www.eie.polyu.edu.hk/~enchwoo/Reprints/1977/Philos.%20Mag.%20vol.36-
Surface Science 528 (2003) 8490 ...
http://www.fh.huji.ac.il/~ronnie/Papers/darling2.pdf
VOLUME 79, NUMBER 17 P H Y S I C A L R E V I E W L E T T E R S 27 OCTOBER 1997 ...
http://www.gl.ciw.edu/~cohen/research/mgo_diffusion/itaprl.pdf
A comparison of defect energies in MgO using Mott-Littleton and quantum mechanic...
http://www.iop.org/EJ/abstract/0953-8984/1/40/011
VOLUME 75, NUMBER 25 P H Y S I C A L R E V I E W L E T T E R S 18 DECEMBER 1995 ...
http://www.lorentz.leidenuniv.nl/~brink/publications/PRL04658.pdf
Density Functional Embedded Cluster ...
http://www.mpipks-dresden.mpg.de/~birken/Reprints/IJQC90p386.pdf
Computational studies of point ...
http://www.ri.ac.uk/DFRL/people/a_walker/a_walker_pubs/chapter_1.pdf
Chapter 3: Methods in Computational Mineralogy ...
http://www.ri.ac.uk/DFRL/people/a_walker/a_walker_pubs/chapter_3.pdf
...
http://www.staff.amu.edu.pl/~magchem/GULP/gman.html
New phases in an ...
http://www.ub.rug.nl/eldoc/dis/science/j.v.d.brink/c5.pdf
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