Theoretical calculation of rotation-vibration energy levels of polyatomic molecules is a topic
with a long history, characterized by a close, symbiotic relationship with molecular …

The investigation of structural and dynamical properties of weakly bound clusters has
attracted a great deal of interest in recent years. 1-5 They provide an exceptional tool to …

As the experimental andtheoretical investigations of the structure and energetics of isolated
molecules are entering a mature stage of development, the interactions between molecules …

A pedagogical overview of intramolecular vibrational redistribution (IVR) phenomena in
vibrationally excited molecules is presented. In the interest of focus and simplicity, the topics …

Atomic interaction lines and (3,− 1) critical points were located in the intermoleclar regions of
a total of 36 configurations of 11 van der Waals dimers and a trimer, none of which contain a …

The concept of intermolecular forces has been central to the molecular theory of matter since
the work of van der Waals. A great deal of effort has been expended in an attempt to …

▪ Abstract Various aspects of molecular solvation are reviewed from the perspective
provided by gas-phase aromatic solute-(solvent) n clusters. Particular emphasis is placed on …

Over the past 15 years the high-resolution spectroscopic study of ionic complexes has
grown into an active field with relevance to significant physical, chemical, and biological …

Understanding the fundamental principles for the design of CO2-philic materials is of
growing importance due to the potential for enabling “green” chemistry and technologies in …

Hydrogen bonding between water and a series of small organic molecules was examined
via electronic structure calculations. Several computational methods were examined …