Chemical Structures from the Analysis of Domain Averaged Fermi holes. Multiple Metal-Metal Bonding in Transition Metal Compounds.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F03%3A27030184" target="_blank" >RIV/67985858:_____/03:27030184 - isvavai.cz</a>

Result on the web

—

DOI - Digital Object Identifier

—

Result language

angličtina

Original language name

Chemical Structures from the Analysis of Domain Averaged Fermi holes. Multiple Metal-Metal Bonding in Transition Metal Compounds.

Original language description

The recently proposed approach based on the analysis of domain-averaged Fermi holes was applied to the study of the nature of metal-metal bonding in transition metal complexes and clusters. Although the resulting picture of bonding has been usually shownto agree with the original expectations based on early simple MO models, some examples were also found in which the conclusions of the reported analysis display dramatic sensitivity to the quality of the wave function used for the generation of the Fermi holes.

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/IAA4072006" target="_blank" >IAA4072006: Electron pairing and chemical bonds</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

2003

Confidentiality

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

Name of the periodical

Journal of Computational Chemistry

ISSN

0192-8651

e-ISSN

—

Volume of the periodical

24

Issue of the periodical within the volume

15

Country of publishing house

GB - UNITED KINGDOM

Number of pages

10

Pages from-to

1829-1838

UT code for WoS article

—

EID of the result in the Scopus database

—