Robust and Affordable Multicoefficient Methods for Thermochemistry and Thermochemical Kinetics: The MCCM/3 Suite and SAC/3

By B. Lynch, Donald G. Truhlar. 2003

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

1. Roberto Peverati
2. Donald G. Truhlar
3. Rodney Bartlett
4. M. Musiał
5. Narbe Mardirossian
6. Stefan Grimme
7. Yan Zhao
8. Lars Goerigk

Citations in the corpus

• Coupled-cluster theory in quantum chemistry (2007, methodology): “However, of all readily applicable quantum chemical and DFT methods, only CCSD T can reduce the error in the activation barrier for simple reactions to 1 kcal/mol Lynch and Truhlar, 2003 .”
• Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics (2012, methodology): “The geometries for the benzene dimers in the NCCE31/05 database are taken from Sinnokrot & Sherrill [147], while geometries for all other molecules in this database are optimized at the MC-QCISD/3 level [121,148].”