Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals.

Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals.

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http://www.wikidata.org/entity/Q43741956
Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test.Anisotropic electronic conduction in stacked two-dimensional titanium carbideOrganometallic reactivity: the role of metal-ligand bond energies from a computational perspective.Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.A general method for molecular modeling of nucleation from the melt.Empirical van der Waals corrections to solid-state density functional theory: Iodine and phosphorous containing molecular crystals.Assessing the performance of density functional theory in optimizing molecular crystal structure parameters.Reliable DFT-based estimates of cohesive energies of organic solids: the anthracene crystal.Progress in crystal structure prediction.Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and paracetamol multi-component crystalsExperimental and theoretical investigations of the polymorphism of 5-chloroacetoxybenzoic acid (5-chloroaspirin)Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable?Predictability of the polymorphs of small organic compounds: Crystal structure predictions of four benchmark blind test molecules
P2860

Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals.

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http://www.wikidata.org/entity/Q43741956
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2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
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2009年學術文章
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2009年學術文章
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name
Revisiting the blind tests in ...... ranking of molecular crystals.
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Revisiting the blind tests in ...... ranking of molecular crystals.
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type
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Revisiting the blind tests in ...... ranking of molecular crystals.
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Revisiting the blind tests in ...... ranking of molecular crystals.
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Revisiting the blind tests in ...... ranking of molecular crystals.
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Revisiting the blind tests in ...... ranking of molecular crystals.
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P1433
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P2093
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P31
P356
P407
P433
P478
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Revisiting the blind tests in ...... ranking of molecular crystals.
@en
P2093
P304
P31
P356
P407
P433
P478
P50
P577
P698
P921