Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
2007 / 03 Vol. 117; Iss. 3
Computing the Fukui function from ab initio quantum chemistry: approaches based on the extended Koopmans’ theorem
Paul W. Ayers, Junia MelinVolume:
117
Language:
english
Pages:
11
DOI:
10.1007/s00214-006-0165-6
Date:
March, 2007
File:
PDF, 230 KB
english, 2007