Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexes
about
DNA-protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar.MP2.5 and MP2.X: approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration.Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using Gaussian09.Occurrence and stability of lone pair-π stacking interactions between ribose and nucleobases in functional RNAs.The performance of MP2.5 and MP2.X methods for nonequilibrium geometries of molecular complexes
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Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexes
description
article
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im Dezember 2011 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована в грудні 2011
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name
Evaluation of the performance ...... tance in noncovalent complexes
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Evaluation of the performance ...... tance in noncovalent complexes
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type
label
Evaluation of the performance ...... tance in noncovalent complexes
@en
Evaluation of the performance ...... tance in noncovalent complexes
@nl
prefLabel
Evaluation of the performance ...... tance in noncovalent complexes
@en
Evaluation of the performance ...... tance in noncovalent complexes
@nl
P2860
P356
P1476
Evaluation of the performance ...... tance in noncovalent complexes
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P2093
Kevin E. Riley
P2860
P304
P356
10.1002/JCC.22899
P577
2011-12-16T00:00:00Z