Spin-Forbidden Branching in the Mechanism of the Intrinsic Haber-Weiss Reaction

Dynamical Bifurcation in Gas-Phase XH− + CH3 Y SN 2 Reactions: The Role of Energy Flow and Redistribution in Avoiding the Minimum Energy Path

(2016) Yaicel G. Proenza et al.   CHEMISTRY-A EUROPEAN JOURNAL

Nonadiabatic transition state theory: Application to intersystem crossings in the active sites of metal-sulfur proteins

(2016) Aleksandr O. Lykhin et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Dynamic Effects Dictate the Mechanism and Selectivity of Dehydration-Rearrangement Reactions of Protonated Alcohols [Me2(R)CCH(OH2)Me]+(R=Me, Et,iPr) in the Gas Phase

(2014) Miguel A. F. de Souza  et al.   CHEMISTRY-A EUROPEAN JOURNAL

Modeling Spin-Forbidden Monomer Self-Initiation Reactions in Spontaneous Free-Radical Polymerization of Acrylates and Methacrylates

(2014) Shi Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Assessment of density-functionals for describing the X− + CH3ONO2 gas-phase reactions with X = F, OH, CH2CN

(2014) Yaicel G. Proenza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Spin-forbidden reactions: computational insight into mechanisms and kinetics

(2013) Jeremy N. Harvey   Wiley Interdisciplinary Reviews-Computational Molecular Science

Accurate ab initio potential energy curve of O2. II. Core-valence correlations, relativistic contributions, and vibration-rotation spectrum

(2010) Laimutis Bytautas et al.   JOURNAL OF CHEMICAL PHYSICS

The Influence of Spin Effects on the Gas Phase Reactions of Carbanions with N and O Atoms

(2010) Zhibo Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding the rate of spin-forbidden thermolysis of HN3 and CH3N3

(2008) Maria Besora et al.   JOURNAL OF CHEMICAL PHYSICS