Optimization of the GAFF force field to describe liquid crystal molecules: the path to a dramatic improvement in transition temperature predictions.

Optimization of the GAFF force field to describe liquid crystal molecules: the path to a dramatic improvement in transition temperature predictions.

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http://www.wikidata.org/entity/Q50938581
Simulation insights into the role of antiparallel molecular association in the formation of smectic A phases.Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales.Prediction of EPR Spectra of Lyotropic Liquid Crystals using a Combination of Molecular Dynamics Simulations and the Model-Free Approach.Validating an optimized GAFF force field for liquid crystals: TNI predictions for bent-core mesogens and the first atomistic predictions of a dark conglomerate phase.Guest–host systems containing anthraquinone dyes with multiple visible transitions giving positive and negative dichroic order parameters: an assessment of principal molecular axes and computational methodsExperimental and molecular dynamics studies of anthraquinone dyes in a nematic liquid-crystal host: a rationale for observed alignment trendsDyes as guests in ordered systems: current understanding and future directions
P2860

Optimization of the GAFF force field to describe liquid crystal molecules: the path to a dramatic improvement in transition temperature predictions.

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http://www.wikidata.org/entity/Q50938581
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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
@zh-cn
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年學術文章
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2015年學術文章
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name
Optimization of the GAFF force ...... ition temperature predictions.
@en
Optimization of the GAFF force ...... ition temperature predictions.
@nl
type
label
Optimization of the GAFF force ...... ition temperature predictions.
@en
Optimization of the GAFF force ...... ition temperature predictions.
@nl
prefLabel
Optimization of the GAFF force ...... ition temperature predictions.
@en
Optimization of the GAFF force ...... ition temperature predictions.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P356
P1433
P1476
Optimization of the GAFF force ...... ition temperature predictions.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698