A single- and multireference study on CH (X2 Π) reaction with O2 (X3Σg−)

Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants

(2015) Annia Galano et al.   JOURNAL OF PHYSICAL CHEMISTRY A

MESMER: An Open-Source Master Equation Solver for Multi-Energy Well Reactions

(2012) David R. Glowacki et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 1. Accurate Thermochemistry and Barrier Heights

(2011) I. M. Alecu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Towards accurate kinetic modeling of prompt NO formation in hydrocarbon flames via the NCN pathway

(2008) Jeffrey A. Sutton et al.   COMBUSTION AND FLAME

Kinetics of CH + N2Revisited with Multireference Methods

(2008) Lawrence B. Harding et al.   JOURNAL OF PHYSICAL CHEMISTRY A