Assessment of ten DFT methods in predicting structures of sheet silicates: importance of dispersion corrections.

Assessment of ten DFT methods in predicting structures of sheet silicates: importance of dispersion corrections.

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http://www.wikidata.org/entity/Q34418759
Structure and Electronic Properties of Transition Metal Doped Kaolinite NanoclayAmmonium adsorption on Brønsted acidic centers on low-index vanadium pentoxide surfaces.Toward Accurate Adsorption Energetics on Clay Surfaces.Accurate structures and energetics of neutral-framework zeotypes from dispersion-corrected DFT calculations.First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets.Electronic bandstructure and van der Waals coupling of ReSe2 revealed by high-resolution angle-resolved photoemission spectroscopy.Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: beyond standard density functional theory.Comparison between Gaussian-type orbitals and plane wave ab initio density functional theory modeling of layer silicates: talc [Mg3Si4O10(OH)2] as model system.Interactions of platinum clusters with a graphite substrate.Transmutation effects on long-term Cs retention in phyllosilicate minerals from first principles.Retention of contaminants Cd and Hg adsorbed and intercalated in aluminosilicate clays: A first principles study.Experimental and computational studies of the roles of MgO and Zn in talc for the selective formation of 1,3-butadiene in the conversion of ethanol.Behaviour of the surface hydroxide groups of exfoliated kaolinite in the gas phase and during water adsorption.
P2860

Assessment of ten DFT methods in predicting structures of sheet silicates: importance of dispersion corrections.

Item
http://www.wikidata.org/entity/Q34418759
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2012 nî lūn-bûn
@nan
2012 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Assessment of ten DFT methods ...... nce of dispersion corrections.
@ast
Assessment of ten DFT methods ...... nce of dispersion corrections.
@en
Assessment of ten DFT methods ...... nce of dispersion corrections.
@nl
type
label
Assessment of ten DFT methods ...... nce of dispersion corrections.
@ast
Assessment of ten DFT methods ...... nce of dispersion corrections.
@en
Assessment of ten DFT methods ...... nce of dispersion corrections.
@nl
prefLabel
Assessment of ten DFT methods ...... nce of dispersion corrections.
@ast
Assessment of ten DFT methods ...... nce of dispersion corrections.
@en
Assessment of ten DFT methods ...... nce of dispersion corrections.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Assessment of ten DFT methods ...... ance of dispersion corrections
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698