Trends in σ-hole strengths and interactions of F3MX molecules (M = C, Si, Ge and X = F, Cl, Br, I)

Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds

(2012) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

Average Local Ionization Energies as a Route to Intrinsic Atomic Electronegativities

(2011) Peter Politzer et al.   Journal of Chemical Theory and Computation

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

(2011) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

σ-Holes, π-holes and electrostatically-driven interactions

(2011) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING

Directional Weak Intermolecular Interactions: σ-Hole Bonding

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

Directional tendencies of halogen and hydrogen bonds

(2010) Zenaida P. Shields et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Molecular surface electrostatic potentials as guides to Si-O-N angle contraction: tunable σ-holes

(2010) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

(2010) Felipe A. Bulat et al.   JOURNAL OF MOLECULAR MODELING

Tuning σ-Holes: Charge Redistribution in the Heavy (Group 14) Analogues of Simple and Mixed Halomethanes Can Impose Strong Propensities for Halogen Bonding

(2010) Kelling J. Donald et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

(2010) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrostatically driven complexes of SiF4with amines

(2009) Peter Politzer et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Density Functionals with Broad Applicability in Chemistry

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

Simultaneous σ-hole and hydrogen bonding by sulfur- and selenium-containing heterocycles

(2008) Jane S. Murray et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

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

Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?

(2008) Timothy Clark et al.   JOURNAL OF MOLECULAR MODELING

Expansion of the σ-hole concept

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

σ-hole bonding between like atoms; a fallacy of atomic charges

(2008) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING