Koudriachova, M.V., Beckers, J.V.L., de Leeuw, S.W. (2001) Computer simulation of the quartz surface: a combined ab initio and empirical potential approach. Computational Materials Science, 20 (3). 381-386 doi:10.1016/s0927-0256(00)00198-1

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Reference Type	Journal (article/letter/editorial)
Title	Computer simulation of the quartz surface: a combined ab initio and empirical potential approach
Journal	Computational Materials Science
Authors	Koudriachova, M.V.		Author
	Beckers, J.V.L.		Author
	de Leeuw, S.W.		Author
Year	2001 (March)	Volume	20
Issue	3
Publisher	Elsevier BV
DOI	doi:10.1016/s0927-0256(00)00198-1Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	9503345	Long-form Identifier	mindat:1:5:9503345:1
GUID	0
Full Reference	Koudriachova, M.V., Beckers, J.V.L., de Leeuw, S.W. (2001) Computer simulation of the quartz surface: a combined ab initio and empirical potential approach. Computational Materials Science, 20 (3). 381-386 doi:10.1016/s0927-0256(00)00198-1
Plain Text	Koudriachova, M.V., Beckers, J.V.L., de Leeuw, S.W. (2001) Computer simulation of the quartz surface: a combined ab initio and empirical potential approach. Computational Materials Science, 20 (3). 381-386 doi:10.1016/s0927-0256(00)00198-1
In	(2001, March) Computational Materials Science Vol. 20 (3) Elsevier BV

	Koudriachova, M.V, Beckers, J.V.L, de Leeuw, S.W (2000) Comparison of ab initio and empirical approaches to the quartz surface. Computational Materials Science, 17 (2). 182-185 doi:10.1016/s0927-0256(00)00020-3
	*Beckers, J.V.L., de Leeuw, S.W. (2001) Fractal structure and specific surface of nanoporous silica. International Journal of Inorganic Materials, 3 (2) 175-178 doi:10.1016/s1466-6049(00)00104-5*
	*Smargiassi, Enrico (2001) Defect properties and diffusion in sodium using ab initio molecular dynamics. Computational Materials Science, 20 (3). 416-422 doi:10.1016/s0927-0256(00)00202-0*
	Martoňák, R., Molteni, C., Parrinello, M. (2001) A new constant-pressure ab initio/classical molecular dynamics method: simulation of pressure-induced amorphization in a Si35H36 cluster. Computational Materials Science, 20 (3). 293-299 doi:10.1016/s0927-0256(00)00185-3
	Adler, Christoph, Pavone, Pasquale, Schröder, Ulrich (2001) Ab initio calculation of the structural and dynamical properties of layered semiconductors. Computational Materials Science, 20 (3). 371-375 doi:10.1016/s0927-0256(00)00193-2
	*Beckers, J.V.L., de Leeuw, S.W. (2000) Molecular dynamics simulation of nanoporous silica. Journal of Non-Crystalline Solids, 261 (1) 87-100 doi:10.1016/s0022-3093(99)00607-9*
	Koudriachova, Marina V., Harrison, Nicholas M., de Leeuw, Simon W. (2002) Structural deformations in lithium doped titanium dioxide. Computational Materials Science, 24 (1). 235-240 doi:10.1016/s0927-0256(02)00200-8
	Ceccarelli, Matteo, Procacci, Piero, Marchi, Massimo (2001) Empirical force field for the simulation of a class of chromophores in a photosynthetic center. Computational Materials Science, 20 (3). 318-324 doi:10.1016/s0927-0256(00)00189-0
	*Wilson, Mark (2000) Transferable ionic simulation models from ab initio calculations. Computational Materials Science, 17 (2). 234-238 doi:10.1016/s0927-0256(00)00030-6*
	Meloni, S., Pieretti, A., Bencivenni, L., Rossi Albertini, V., Sadun, C., Caminiti, R. (2001) SO2Cl2, SOCl2: energy dispersive X-ray diffraction, ab initio and molecular dynamics calculation. Computational Materials Science, 20 (3). 407-415 doi:10.1016/s0927-0256(00)00200-7
	van Zon, A, Bel, G.-J, Mos, B, Verkerk, P, de Leeuw, S.W (2000) Structural relaxation in poly(ethylene oxide)-salt solutions. Computational Materials Science, 17 (2). 265-268 doi:10.1016/s0927-0256(00)00036-7

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Koudriachova, M.V., Beckers, J.V.L., de Leeuw, S.W. (2001) Computer simulation of the quartz surface: a combined ab initio and empirical potential approach. Computational Materials Science, 20 (3). 381-386 doi:10.1016/s0927-0256(00)00198-1

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