Mathematical modeling and physical reality in noncovalent interactions

Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution

(2014) Peter Nagy   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Role of Polarization in Halogen Bonds

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

Halogen Bonding: An Interim Discussion

(2013) Peter Politzer et al.   CHEMPHYSCHEM

Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: Theory and analysis of the water dimer

(2013) R. Julian Azar et al.   JOURNAL OF CHEMICAL PHYSICS

Halogen bonding and other σ-hole interactions: a perspective

(2013) Peter Politzer et al.   PHYSICAL CHEMISTRY 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

SH···N and SH···P blue-shifting H-bonds and N···P interactions in complexes pairing HSN with amines and phosphines

(2011) Mohammad Solimannejad et al.   JOURNAL OF CHEMICAL PHYSICS

On the properties of X⋅⋅⋅N noncovalent interactions for first-, second-, and third-row X atoms

(2011) Steve Scheiner   JOURNAL OF CHEMICAL PHYSICS

Polarization-induced σ-holes and hydrogen bonding

(2011) Matthias Hennemann et al.   JOURNAL OF MOLECULAR MODELING

Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory

(2011) Yirong Mo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The electrostatic potential: an overview

(2011) Jane S. Murray et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

On the nature of halogen bond – The Kohn–Sham molecular orbital approach

(2010) Marcin Palusiak   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Cooperative and Diminutive Unusual Weak Bonding In F3CX···HMgH···Y and F3CX···Y···HMgH Trimers (X = Cl, Br; Y = HCN, and HNC)

(2010) Mohammad Solimannejad et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Binding Mechanisms in Supramolecular Complexes

(2009) Hans-Jörg Schneider   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Charge-transfer in Symmetry-Adapted Perturbation Theory

(2009) Anthony J. Stone et al.   CHEMICAL PHYSICS LETTERS

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

Blue shifts vs red shifts in σ-hole bonding

(2008) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING