The Inherent Competition between Addition and Substitution Reactions of Br2 with Benzene and Arenes

Regioselectivity in Electrophilic Aromatic Substitution: Insights from Interaction Energy Decomposition Potentials

(2011) Tim Fievez et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Frontiers in electronic structure theory

(2010) C. David Sherrill   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Successful Computational Modeling of Isobornyl Chloride Ion-Pair Mechanisms

(2010) Jing Kong et al.   JOURNAL OF ORGANIC CHEMISTRY

Delineating Origins of Stereocontrol in Asymmetric Pd-Catalyzed α-Hydroxylation of 1,3-Ketoesters

(2010) Alexander M. R. Smith et al.   JOURNAL OF ORGANIC CHEMISTRY

A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions − Assessment of Common and Reparameterized (meta-)GGA Density Functionals

(2009) Lars Goerigk et al.   Journal of Chemical Theory and Computation

Transition State Distortion Energies Correlate with Activation Energies of 1,4-Dihydrogenations and Diels−Alder Cycloadditions of Aromatic Molecules

(2009) Amy E. Hayden et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

2-Norbornyl Ion-Pair Leakage in Electrophilic Addition of HCl to Nortricyclene and Norbornene

(2009) Jing Kong et al.   ORGANIC LETTERS

Effect of structural factors and solvent nature in bromination of anilines

(2009) B. T. Bagmanov   RUSSIAN JOURNAL OF APPLIED CHEMISTRY

Electrophilic aromatic addition reaction (AdEAr) to anthracene

(2008) Keun Sam Jang et al.   TETRAHEDRON