Anatomy of Bond Formation: Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F09%3A00326122" target="_blank" >RIV/67985858:_____/09:00326122 - isvavai.cz</a>

Result on the web

—

DOI - Digital Object Identifier

—

Result language

angličtina

Original language name

Anatomy of Bond Formation: Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space

Original language description

Alongside conventional domain-averaged Fermi hole (DAFH) analysis in position space, we examine an alternative representation in momentum space. As examples we consider the processes of splitting the chemical bonds in the simple diatomic molecules H2, N2and LiH, as representatives of non-polar single, non-polar multiple, and polar bonding. We believe that the additional information provided by the complementary description in momentum space contributes to a better understanding of the phenomenon of chemical bonding.

Czech name

—

Czech description

—

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

—

Project

<a href="/en/project/IAA4072403" target="_blank" >IAA4072403: Chemical structures from the analysis of pair density and related quantities</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

International Journal of Quantum Chemistry

ISSN

0020-7608

e-ISSN

—

Volume of the periodical

109

Issue of the periodical within the volume

11

Country of publishing house

US - UNITED STATES

Number of pages

11

Pages from-to

—

UT code for WoS article

000267974300007

EID of the result in the Scopus database

—