Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation

Jingjing Zheng, Tao Yu, Ewa Papajak, I. M. Alecu, Steven L. Mielke, Donald G. Truhlar
  • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c0cp02644a