Structure, spectroscopy and dynamics of halogen molecules interacting with water

On the Unusual Properties of Halogen Bonds: A Detailed ab Initio Study of X2−(H2O)1−5clusters (X = Cl and Br)

(2009) Margarita I. Bernal-Uruchurtu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Universal Approach to Solvation Modeling

(2008) Christopher J. Cramer et al.   ACCOUNTS OF CHEMICAL RESEARCH

Halogen Bonding in Supramolecular Chemistry

(2008) Pierangelo Metrangolo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Product state resolved excitation spectroscopy of He–, Ne–, and Ar–Br2 linear isomers: Experiment and theory

(2008) Jordan M. Pio et al.   JOURNAL OF CHEMICAL PHYSICS

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

Microhydration of X2Gas (X = Cl, Br, and I):  A Theoretical Study on X2·nH2O Clusters (n= 1−8)

(2008) A. K. Pathak et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Polymorphism in Br2Clathrate Hydrates

(2008) I. U. Goldschleger et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Origin of the X−Hal (Hal = Cl, Br) Bond-Length Change in the Halogen-Bonded Complexes

(2008) Weizhou Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dynamical interrogation of the hydration cage of bromine in single crystal clathrate hydrates versus water

(2008) I. U. Goldschleger et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetics of hydrogen-bond rearrangements in bulk water

(2008) Kafui A. Tay et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theory of solvatochromic shifts in nonpolar solvents reveals a new spectroscopic rule

(2008) T. Renger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CHEMISTRY: Halogen Versus Hydrogen

(2008) P. Metrangolo et al.   SCIENCE

Two-Dimensional H2O−Cl2and H2O−Br2Potential Surfaces:  An Ab Initio Study of Ground and Valence Excited Electronic States

(2007) Ramón Hernández-Lamoneda et al.   JOURNAL OF PHYSICAL CHEMISTRY A