▪ Abstract This review discusses recent quantum scattering calculations on bimolecular
chemical reactions in the gas phase. This theory provides detailed and accurate predictions …

This review describes advances which have occurred during the past decade in chemical
reaction dynamics using crossed molecular beams. After a brief historical introduction …

An efficient method for the calculation of Breit-Pauli spin-orbit matrix elements for internally
contracted multireference configuration interaction wavefunctions is presented. Instead of …

The reaction F+ H2→ FH+ H is studied quantum mechanically at ultralow temperatures. The
low temperature limit of its rate coefficient is controlled by the attractive van der Waals …

Expanding on an earlier Communication [MH Alexander, H.-J. Werner, and DE
Manolopoulos, J. Chem. Phys. 109, 5710 (1998)], we present here the full framework for the …

We have studied the reaction F+ HD at low collision energies using a combination of
experimental and theoretical methods. Clear evidence for a reactive resonance is found in …

Large scale coupled-cluster benchmark calculations have been carried out to determine the
barrier height of the F+ H 2 reaction as accurately as possible. The best estimates for the …

We present a theoretical investigation of the chemistry of fluorine-bearing molecules in
diffuse and dense interstellar gas clouds, combining recent estimates for the rates of …

Two new global ab initio potential energy surfaces (called BW1 and BW2) for the ClH 2
reactive system are presented. These are based on internally contracted multireference …

We had calculated adiabatic potential energy surfaces (PESs), nonadiabatic, and spin–orbit
(SO) coupling terms among the lowest three electronic states (12A′, 22A′, and 12A ″) of …