The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory.

The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory.

Item
http://www.wikidata.org/entity/Q39942820
Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?Chirality-induced spin polarization places symmetry constraints on biomolecular interactionsThe aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes.Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.Discovering the stacking landscape of a pyridine-pyridine system.Improving the accuracy of Møller-Plesset perturbation theory with neural networks.Definitive thermochemistry and kinetics of the interconversions among conformers of n-butane and n-pentane.A general intermolecular force field based on tight-binding quantum chemical calculations.Extension of the D3 dispersion coefficient model.Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.MP2-F12 basis set convergence for the S66 noncovalent interactions benchmark: Transferability of the complementary auxiliary basis set (CABS)
P2860

The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory.

Item
http://www.wikidata.org/entity/Q39942820
description
2016 nî lūn-bûn
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2016年の論文
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2016年論文
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2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
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2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
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name
The S66x8 benchmark for noncov ...... and density functional theory.
@en
The S66x8 benchmark for noncov ...... and density functional theory.
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type
label
The S66x8 benchmark for noncov ...... and density functional theory.
@en
The S66x8 benchmark for noncov ...... and density functional theory.
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prefLabel
The S66x8 benchmark for noncov ...... and density functional theory.
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The S66x8 benchmark for noncov ...... and density functional theory.
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The S66x8 benchmark for noncov ...... and density functional theory
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698