Chemical Bonding in Solids: Recovering Chemical Concepts in the Realm of Infinite Periodic Structures.

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F16%3A00453427" target="_blank" >RIV/67985858:_____/16:00453427 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/9781782622703-00053" target="_blank" >http://dx.doi.org/10.1039/9781782622703-00053</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/9781782622703-00053" target="_blank" >10.1039/9781782622703-00053</a>

Result language
angličtina
Original language name
Chemical Bonding in Solids: Recovering Chemical Concepts in the Realm of Infinite Periodic Structures.
Original language description
Modern solid state chemistry is inconceivable without theoretical treatment of solids thanks to the availability of efficient and accurate computational methods.nSince long time they were developed mainly by physicist?s community and are deeply rooted in the formalism of reciprocal space, whereas connections to many familiar chemical concepts like bond orders, valences or multicenter bonding are not easy to establish. This chapter reports an overview of the recent developments in the field of the chemical bonding analysis of solids within quantum chemicalntopology approach. Presented are the consistent description of the formalism, its application to a simple analytical model of solid, which shed light on many findings, revealed by the bonding analysis of computation results, as well as a brief overview of the successfulnapplications of the presented approach.
Czech name
—
Czech description
—

Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)