Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling
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Reticular synthesis of porous molecular 1D nanotubes and 3D networks.Report on the sixth blind test of organic crystal structure prediction methods.Application of computational methods to the design and characterisation of porous molecular materials.Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.Functional materials discovery using energy-structure-function maps.Unraveling Complexity in the Solid Form Screening of a Pharmaceutical Salt: Why so Many Forms? Why so Few?Energy-Structure-Function Maps: Cartography for Materials Discovery.Crystal structure prediction of rigid molecules.Substituent interference on supramolecular assembly in urea gelators: synthesis, structure prediction and NMR.Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.Machine learning for the structure-energy-property landscapes of molecular crystals.
P2860
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P2860
Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling
description
2015 nî lūn-bûn
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2015年の論文
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2015年学术文章
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2015年学术文章
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2015年学术文章
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2015年学术文章
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2015年学术文章
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name
Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling
@en
type
label
Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling
@en
prefLabel
Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling
@en
P2093
P2860
P356
P1476
Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling
@en
P2093
David H Case
Josh E Campbell
Peter J Bygrave
P2860
P304
P356
10.1021/ACS.JCTC.5B01112
P50
P577
2015-12-30T00:00:00Z