Kód: 02007047
A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements covers the most recent progress in the development of a new generation of density functional theory (DFT) for accurate description ... celý popis
1681 Kč
Potřebujete více kusů?Máte-li zájem o více kusů, prověřte, prosím, nejprve dostupnost titulu na naši zákaznické podpoře.
Nákupem získáte 168 bodů
A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements covers the most recent progress in the development of a new generation of density functional theory (DFT) for accurate descriptions of thermochemistry, thermochemical kinetics, and nonbonded interactions of main group molecules. In this book, the authors present the doubly hybrid density functionals (DHDFs), which dramatically improve the accuracy for predictions of critical properties by including the role of the virtual (unoccupied) orbitals. The authors not only discuss the theoretical bases of three classes of DHDFs but also demonstrate their performance using some well-established benchmarking data sets.§
Zařazení knihy Knihy v angličtině Mathematics & science Chemistry Physical chemistry
1681 Kč
Osobní odběr Praha, Brno a 12903 dalších
Copyright ©2008-24 nejlevnejsi-knihy.cz Všechna práva vyhrazenaSoukromíCookies
Nákupní košík ( prázdný )