Density functional theory based generalized effective fragment potential method.

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Density functional theory based generalized effective fragment potential method.

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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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2014年学术文章

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2014年学术文章

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2014年學術文章

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Density functional theory based generalized effective fragment potential method.

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Density functional theory based generalized effective fragment potential method.

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Density functional theory based generalized effective fragment potential method.

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Density functional theory based generalized effective fragment potential method.

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Density functional theory based generalized effective fragment potential method.

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Density functional theory based generalized effective fragment potential method.

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P1476

Density functional theory based generalized effective fragment potential method.

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P2093

Kiet A Nguyen

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Paul N Day

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Ruth Pachter

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P2860

Self-Consistent Equations Including Exchange and Correlation Effects

Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand-Macromolecule Complexes. A Bottom-Up Strategy.

Accurate first principles model potentials for intermolecular interactions.

Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

Water-benzene interactions: an effective fragment potential and correlated quantum chemistry study.

Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters.

Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method.

Basis set consistent revision of the S22 test set of noncovalent interaction energies.

General atomic and molecular electronic structure system

P304

244101

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P31

scholarly article

P356

10.1063/1.4883488

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P407

English

P433

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P478

140

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P577

2014-06-01T00:00:00Z

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P698

24985612

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