Chemical Bonding in Solids: Recovering Chemical Concepts in the Realm of Infinite Periodic Structures.
Identifikátory výsledku
Kód výsledku v 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>
Výsledek na webu
<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>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Chemical Bonding in Solids: Recovering Chemical Concepts in the Realm of Infinite Periodic Structures.
Popis výsledku v původním jazyce
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.
Název v anglickém jazyce
Chemical Bonding in Solids: Recovering Chemical Concepts in the Realm of Infinite Periodic Structures.
Popis výsledku anglicky
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.
Klasifikace
Druh
C - Kapitola v odborné knize
CEP obor
CF - Fyzikální chemie a teoretická chemie
OECD FORD obor
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Návaznosti výsledku
Projekt
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Návaznosti
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2016
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název knihy nebo sborníku
Chemical Modelling
ISBN
978-1-78262-115-7
Počet stran výsledku
31
Strana od-do
53-83
Počet stran knihy
362
Název nakladatele
Royal Society Chemistry
Místo vydání
Cambridge
Kód UT WoS kapitoly
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