Reducing the expense of electronic structure calculations for larger molecules optimized auxiliary basis sets, and system-specifically reparametrized semiempirical methods

Autor: Rungtiva Palangsuntikul.
Jazyk: angličtina
Předmět:
Zdroj: kostenfrei.
Popis: Kiel, University, Diss., 2005.
Databáze: Networked Digital Library of Theses & Dissertations