Dissociation curves and binding energies of diatomic transition metal carbides from density functional theory-Reference-Cited by-同舟云学术

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Dissociation curves and binding energies of diatomic transition metal carbides from density functional theory

Published:2011-01-18 Issue:15 Volume:111 Page:4276-4287
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Goel Satyender,Masunov Artëm E.

Funder

NSF grants

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.22950/fullpdf

Reference62 articles.

1. Performance of density functionals for first row transition metal systems

2. The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry

3. Density functional calculations for atoms in the first transition series

4. Potential energy curves and electronic structure of 3d transition metal hydrides and their cations

5. Density Functional Theory of Electronic Structure

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2. Transition Metal Sensing with Nitrogenated Holey Graphene: A First-Principles Investigation;Molecules;2023-05-12

3. Structural and bonding properties of gas-phase M₄C₆ (M = Cu, Ag, and Au) clusters and their anions;Molecular Physics;2022-08-10

4. d- and s-orbital populations in the d block: unbound atoms in physical vacuum versus chemical elements in condensed matter. A Dronskowski-population analysis;Zeitschrift für Naturforschung B;2021-10-15

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