▪ 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 …

Rayleigh-Schrödinger perturbation theory is applied to compute second and third-order
correlation energies using complete active space self-consistent field (CASSCF) zeroth …

This book provides a detailed presentation of modern quantum theories for treating the
reaction dynamics of small molecular systems. Its main focus is on the recent development …

This article describes a quantum mechanical reactive scattering program for atom–diatom
chemical reactions that we have written during the past several years. The program uses a …

Reaction resonances, or transiently stabilized transition-state structures, have proven highly
challenging to capture experimentally. Here, we used the highly sensitive H atom Rydberg …

A three dimensional potential energy surface for the F+ H2→ HF+ H reaction has been
computed using the internally contracted multireference configuration interaction (MRCI) …

The van der Waals forces in the entrance valley of the Cl+ HD reaction are shown here to
play a decisive role in the reaction's dynamics. Exact quantum mechanical calculations of …

Conclusive evidence is presented for the existence of a reactive resonance in the F+ HD
reaction. In a molecular beam experiment, the resonance appears in the integral cross …

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 …