Assessing the performance of density functional theory in optimizing molecular crystal structure parameters.
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The effect of temperature and pressure on the crystal structure of piperidine.Electronic excitations in molecular solids: bridging theory and experiment.Accurate structures and energetics of neutral-framework zeotypes from dispersion-corrected DFT calculations.Can computed crystal energy landscapes help understand pharmaceutical solids?Unraveling Complexity in the Solid Form Screening of a Pharmaceutical Salt: Why so Many Forms? Why so Few?Theoretical insight into the sensitive mechanism of multilayer-shaped cocrystal explosives: compression and slide.
P2860
Assessing the performance of density functional theory in optimizing molecular crystal structure parameters.
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2014 nî lūn-bûn
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2014年の論文
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2014年学术文章
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2014年学术文章
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name
Assessing the performance of d ...... crystal structure parameters.
@en
Assessing the performance of d ...... crystal structure parameters.
@nl
type
label
Assessing the performance of d ...... crystal structure parameters.
@en
Assessing the performance of d ...... crystal structure parameters.
@nl
prefLabel
Assessing the performance of d ...... crystal structure parameters.
@en
Assessing the performance of d ...... crystal structure parameters.
@nl
P2860
P1476
Assessing the performance of d ...... crystal structure parameters.
@en
P2093
Jack Binns
Simon Parsons
P2860
P304
P356
10.1107/S205252061303268X
P577
2014-03-17T00:00:00Z