Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation
Zheng, Jingjing, Yu, Tao, Papajak, Ewa, Alecu, I. M., Mielke, Steven L., Truhlar, Donald G.Volume:
13
Année:
2011
Langue:
english
DOI:
10.1039/c0cp02644a
Fichier:
PDF, 2.68 MB
english, 2011