The polymorphs of ROY: application of a systematic crystal structure prediction technique.
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Convergence Properties of Crystal Structure Prediction by Quasi-Random SamplingFacts and fictions about polymorphism.Can computed crystal energy landscapes help understand pharmaceutical solids?An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostaticsPharmaceutical polymorph control in a drug-mimetic supramolecular gel.Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. I. Adaptive local approximate models.Energy-Structure-Function Maps: Cartography for Materials Discovery.Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals.Linear-scaling density functional simulations of the effect of crystallographic structure on the electronic and optical properties of fullerene solvates.Reversible piezochromism in a molecular wine-rack.Control and prediction of the organic solid state: a challenge to theory and experiment
P2860
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P2860
The polymorphs of ROY: application of a systematic crystal structure prediction technique.
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2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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name
The polymorphs of ROY: applica ...... tructure prediction technique.
@en
The polymorphs of ROY: applica ...... tructure prediction technique.
@nl
type
label
The polymorphs of ROY: applica ...... tructure prediction technique.
@en
The polymorphs of ROY: applica ...... tructure prediction technique.
@nl
prefLabel
The polymorphs of ROY: applica ...... tructure prediction technique.
@en
The polymorphs of ROY: applica ...... tructure prediction technique.
@nl
P2093
P2860
P1476
The polymorphs of ROY: applica ...... tructure prediction technique.
@en
P2093
Andrei V Kazantsev
Constantinos C Pantelides
Manolis Vasileiadis
Panagiotis G Karamertzanis
P2860
P304
P356
10.1107/S0108768112045636
P577
2012-11-16T00:00:00Z