Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
2011 / 03 Vol. 128; Iss. 4-6
An efficient implementation of a QM–MM method in SIESTA
Carlos F. Sanz-Navarro, Rogeli Grima, Alberto García, Edgar A. Bea, Alejandro Soba, José M. Cela, Pablo OrdejónVolume:
128
Langue:
english
Pages:
9
DOI:
10.1007/s00214-010-0816-5
Date:
March, 2011
Fichier:
PDF, 470 KB
english, 2011