Efficient computation of compliance matrices in redundant internal coordinates from Cartesian Hessians for nonstationary points
Brandhorst, Kai, Grunenberg, JörgVolume:
132
Année:
2010
Langue:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.3413528
Fichier:
PDF, 425 KB
english, 2010