Noncovalent interactions: a challenge for experiment and theory

K Müller-Dethlefs, P Hobza - Chemical Reviews, 2000 - ACS Publications
A common phenomenon resulting from the interaction of atoms is the formation of
molecules, under certain conditions. This well-known type of interaction is termed covalent …

Molecular aspects of halide ion hydration: The cluster approach

WH Robertson, MA Johnson - Annual review of physical …, 2003 - annualreviews.org
▪ Abstract This review provides a historical context for our understanding of the hydration
shell surrounding halide ions and illustrates how the cluster systems can be used, in …

Global optimization of clusters of rigid molecules using the artificial bee colony algorithm

J Zhang, M Dolg - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
The global optimization of molecular clusters is an important topic encountered in many
fields of chemistry. In our previous work (Phys. Chem. Chem. Phys., 2015, 17, 24173), we …

Infrared spectroscopy to probe structure and dynamics in metal ion-molecule complexes

MA Duncan - International Reviews in Physical Chemistry, 2003 - Taylor & Francis
Vibrational spectroscopy measurements are described for mass-selected metal cation-
molecular complexes using the technique of infrared resonance-enhanced …

Frontiers in the spectroscopy of mass-selected molecular ions

MA Duncan - International Journal of Mass Spectrometry, 2000 - Elsevier
Recent developments have made it possible to produce a variety of novel ionic molecular
species and to study their spectroscopy. In this article, new ion production schemes and/or …

Properties of water solutions of electrolytes and nonelectrolytes

AA Zavitsas - The Journal of Physical Chemistry B, 2001 - ACS Publications
Apparent large deviations of water solutions from ideal behavior are eliminated by taking
account of the number of water molecules binding to solute sufficiently strongly (13.0±1.5 …

Dynamics of solvated electrons in clusters

RM Young, DM Neumark - Chemical reviews, 2012 - ACS Publications
Solvated electrons are a fundamental species to many areas of physical science. In addition
to playing a key role in aqueous phase chemistry, 1 they have been implicated in a wide …

Absolute hydration free energies of ions, ion–water clusters, and quasichemical theory

D Asthagiri, LR Pratt, HS Ashbaugh - The Journal of chemical physics, 2003 - pubs.aip.org
Experimental studies of ion–water clusters have provided insights into the microscopic
aspects of hydration phenomena. One common view is that extending those experimental …

Weakly bound clusters of biological interest

C Desfrancois, S Carles, JP Schermann - Chemical reviews, 2000 - ACS Publications
Gas-phase studies concerning interactions between neutral or charged species in molecular
clusters allow for the investigation of the forces which govern structures and reaction …

Surface solvation of halogen anions in water clusters: An ab initio molecular dynamics study of the complex

DJ Tobias, P Jungwirth, M Parrinello - The Journal of Chemical …, 2001 - pubs.aip.org
The structure and dynamics of Cl−(H 2 O) 6 has been studied by ab initio molecular
dynamics using the Car–Parrinello approach, and compared to results of ab initio quantum …