Halogen bonds and σ-holes

Dispersion dipoles for coupled Drude oscillators

(2016) Tuguldur T. Odbadrakh et al.   JOURNAL OF CHEMICAL PHYSICS

Blind test of density-functional-based methods on intermolecular interaction energies

(2016) DeCarlos E. Taylor et al.   JOURNAL OF CHEMICAL PHYSICS

Analysis of Multidomain Protein Dynamics

(2015) Amitava Roy et al.   Journal of Chemical Theory and Computation

Mathematical modeling and physical reality in noncovalent interactions

(2015) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

Role of Polarization in Halogen Bonds

(2013) Timothy Clark et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

An efficient and near linear scaling pair natural orbital based local coupled cluster method

(2013) Christoph Riplinger et al.   JOURNAL OF CHEMICAL PHYSICS

Directional Noncovalent Interactions: Repulsion and Dispersion

(2013) Ahmed El Kerdawy et al.   Journal of Chemical Theory and Computation

Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation

(2012) Patrick Bleiziffer et al.   JOURNAL OF CHEMICAL PHYSICS

Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)

(2012) Peter Politzer et al.   Computational and Theoretical Chemistry

Polarized Molecular Orbital Model Chemistry. 1. Ab Initio Foundations

(2011) Luke Fiedler et al.   Journal of Chemical Theory and Computation

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Directional Weak Intermolecular Interactions: σ-Hole Bonding

(2010) Jane S. Murray et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

(2008) Kevin E. Riley et al.   Journal of Chemical Theory and Computation