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Extensions and applications of the A24 data set of accurate interaction energies.

Extensions and applications of the A24 data set of accurate interaction energies.

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Bias cancellation in one-determinant fixed-node diffusion Monte Carlo: Insights from fermionic occupation numbers.On the role of charge transfer in halogen bonding.

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Extensions and applications of the A24 data set of accurate interaction energies.

http://www.wikidata.org/entity/Q30978371

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2015 nî lūn-bûn

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2015 թուականի Յուլիսին հրատարակուած գիտական յօդուած

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2015 թվականի հուլիսին հրատարակված գիտական հոդված

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2015年の論文

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2015年論文

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2015年論文

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2015年論文

@zh-hk

2015年論文

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2015年論文

@zh-tw

2015年论文

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name

Extensions and applications of the A24 data set of accurate interaction energies.

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Extensions and applications of the A24 data set of accurate interaction energies.

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type

label

Extensions and applications of the A24 data set of accurate interaction energies.

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Extensions and applications of the A24 data set of accurate interaction energies.

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prefLabel

Extensions and applications of the A24 data set of accurate interaction energies.

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Extensions and applications of the A24 data set of accurate interaction energies.

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Physical Chemistry Chemical Physics

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Extensions and applications of the A24 data set of accurate interaction energies.

@en

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Matúš Dubecký

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

Petr Jurečka

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P2860

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.

S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures.

Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy.

Accurate Noncovalent Interaction Energies Using Truncated Basis Sets Based on Frozen Natural Orbitals.

Convergence of the Interaction Energies in Noncovalent Complexes in the Coupled-Cluster Methods Up to Full Configuration Interaction.

Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian.

Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the "Gold Standard," CCSD(T) at the Complete Basis Set Limit?

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19268-19277

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scholarly article

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10.1039/C5CP03151F

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29

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17

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26139028

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