(Q43269828)

17 November 2017

title

The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking (English)

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17 November 2017

Pavel Hobza

2

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author name string

Jirí Cerný

series ordinal

1

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17 November 2017

language of work or name

English

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publication date

1 April 2005

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Physical Chemistry Chemical Physics

17 November 2017

published in

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17 November 2017

volume

7

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17 November 2017

issue

8

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17 November 2017

page(s)

1624-1626

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

17 November 2017

cites work

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Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison w

21 January 2018

1 reference

Unexpectedly strong energy stabilization inside the hydrophobic core of small protein rubredoxin mediated by aromatic residues: correlated ab initio quantum chemical calculations

21 January 2018

1 reference

From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

21 January 2018

1 reference

Accurate description of van der Waals complexes by density functional theory including empirical corrections

21 January 2018

1 reference

Density functional theory and molecular clusters

21 January 2018

1 reference

Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: NonempiricalAb InitioCalculations

21 January 2018

1 reference

Molecular Interactions of Nucleic Acid Bases. A Review of Quantum-Chemical Studies

21 January 2018

1 reference

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1039/B502769C

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17 November 2017

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