Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets-Reference-Cited by-同舟云学术

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

Published:2011-05-06 Issue:21 Volume:115 Page:5461-5466
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Deringer Volker L.¹,Tchougréeff Andrei L.¹²,Dronskowski Richard¹

Affiliation:

1. Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52056 Aachen, Germany

2. Poncelet Laboratory, Moscow Center for Continuous Mathematical Education, Independent University of Moscow, Bolshoi Vlasevsky Per. 11, 119002 Moscow, Russia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp202489s

Reference30 articles.

1. Solids and Surfaces: A Chemist's View of Bonding in Extended Structures

2. Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations

3. Chains of trans-edge-sharing molybdenum octahedra: metal-metal bonding in extended systems

4. An Extended Hückel Theory. I. Hydrocarbons

5. Extended Hückel Theory. II. σ Orbitals in the Azines

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