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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
Year:
2011
Language:
english
DOI:
10.1039/c0cp02644a
File:
PDF, 2.68 MB
english, 2011