Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

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Crystal structures of the hexa-fluorido-phosphate salts of the isomeric 2-, 3- and 4-cyano-1-methyl-pyridinium cations and determination of solid-state inter-action energies

P2860

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P2860

Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

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Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

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Item

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Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

@en

Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

@nl

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Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

@en

Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

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P1476

Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

@en

P2093

Heiner Schröder

http://www.w3.org/2001/XMLSchema#string

Jens Hühnert

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional exchange-energy approximation with correct asymptotic behavior

Density-functional thermochemistry. III. The role of exact exchange

Generalized Gradient Approximation Made Simple

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

Steric Crowding Can Stabilize a Labile Molecule: Solving the Hexaphenylethane Riddle

Perspective: Fifty years of density-functional theory in chemical physics.

Semiempirical hybrid density functional with perturbative second-order correlation.

Accurate van der Waals coefficients from density functional theory

Dispersion-Corrected Mean-Field Electronic Structure Methods.

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044115

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scholarly article

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10.1063/1.4974840

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English

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http://www.w3.org/2001/XMLSchema#string

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146

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P50

Tobias Schwabe

P577

2017-01-01T00:00:00Z

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P698

28147528

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Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

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P2860

P2860

Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets.

description

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type

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P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698