An isomeric reaction benchmark set to test if the performance of state-of-the-art density functionals can be regarded as independent of the external potential.
about
Density Functional Theory: Not Quite the Right Answer for the Right Reason Yet.Assessing How Correlated Molecular Orbital Calculations Can Perform versus Kohn-Sham DFT: Barrier Heights/Isomerizations.Nonseparable exchange-correlation functional for molecules, including homogeneous catalysis involving transition metals.Gas-phase interactions of organotin compounds with cysteine.MN15: A Kohn-Sham global-hybrid exchange-correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
P2860
An isomeric reaction benchmark set to test if the performance of state-of-the-art density functionals can be regarded as independent of the external potential.
description
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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2014年学术文章
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2014年学术文章
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name
An isomeric reaction benchmark ...... ent of the external potential.
@en
An isomeric reaction benchmark ...... ent of the external potential.
@nl
type
label
An isomeric reaction benchmark ...... ent of the external potential.
@en
An isomeric reaction benchmark ...... ent of the external potential.
@nl
prefLabel
An isomeric reaction benchmark ...... ent of the external potential.
@en
An isomeric reaction benchmark ...... ent of the external potential.
@nl
P2860
P356
P1476
An isomeric reaction benchmark ...... ent of the external potential.
@en
P2860
P304
14559-14567
P356
10.1039/C4CP00772G
P407
P577
2014-07-01T00:00:00Z