(Q58485313)

4

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Zhongfang Chen

object named as

Zhongfang Chen

6

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Shengbai Zhang

7

object named as

S. B. Zhang

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author name string

Y. Y. Sun

1

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Lu Wang

3

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Wei Chen

Generalized-gradient approximations to density-functional theory: A comparative study for atoms and solids.

5

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language of work or name

English

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publication date

3 August 2010

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published in

Physical Review B

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volume

82

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issue

7

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cites work

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Hydrogen storage by physisorption on nanostructured graphite plateletsElectronic supplementary information (ESI) available: Fig. 1S: Potential energy surface of H2 parallel to benzene at the MP2 level. See http://www.rsc.org/suppdata/cp/b3/b316209e/

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Fundamentals of H2 binding and reactivity on transition metals underlying hydrogenase function and H2 production and storage

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Dihydrogen bonding: structures, energetics, and dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Hydrogen Storage in Novel Organometallic Buckyballs

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

First-principles study of hydrogen storage on Li12C60.

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Lithium-doped metal-organic frameworks for reversible H2 storage at ambient temperature

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Inaccuracy of density functional theory calculations for dihydrogen binding energetics onto Ca cation centers.

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Coupled-cluster theory in quantum chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Clustering of Ti on a C60 surface and its effect on hydrogen storage.

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Basis-set convergence in correlated calculations on Ne, N2, and H2O

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.82.073401