Testing the CP-correction procedure with different DFT methods on H-bonding complexes of κ-carrabiose with water molecules.

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Testing the CP-correction procedure with different DFT methods on H-bonding complexes of κ-carrabiose with water molecules.

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2017 nî lūn-bûn

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2017年学术文章

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Testing the CP-correction proc ...... rrabiose with water molecules.

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Testing the CP-correction proc ...... rrabiose with water molecules.

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Testing the CP-correction proc ...... rrabiose with water molecules.

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Testing the CP-correction proc ...... rrabiose with water molecules.

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Testing the CP-correction proc ...... rrabiose with water molecules.

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Testing the CP-correction proc ...... rrabiose with water molecules.

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P1476

Testing the CP-correction proc ...... arrabiose with water molecules

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P2093

Majda Sekkal-Rahal

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Rachida Fodil

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P2860

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

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Involvement of water in carbohydrate-protein binding.

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A comparative electron correlation treatment in H(2)S-benzene dimer with DFT and wavefunction-based ab initio methods.

A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error.

Model for the fast estimation of basis set superposition error in biomolecular systems

Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: dispersion, induction, and basis set superposition error

P2888

s00894-016-3199-2

P304

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scholarly article

P356

10.1007/S00894-016-3199-2

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P433

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

P478

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P50

Adlane Sayede

P577

2017-01-14T00:00:00Z

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P698

28091888

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