This review surveys quantum scattering calculations on chemical reactions of polyatomic
molecules in the gas phase published in the last ten years. These calculations are useful …

There has been great progress in the development of potential energy surfaces (PESs) and
quantum dynamics calculations in the gas phase. The establishment of a fitting procedure …

The H+ CH4 reaction is a prototype for gas-phase polyatomic reactions, just as the H+ H2
reaction1, 2 is a prototype for triatomic reactions, and it is an important reaction in …

The Laser Photolysis-Shock Tube technique coupled with H-atom atomic resonance
absorption spectrometry has been used to study the reaction, H+ CH4→ CH3+ H2, over the …

A new potential energy surface is reported for the gas-phase reaction Cl+ CH 4→ HCl+ CH
3. It is based on the analytical function of Jordan and Gilbert for the analog reaction H+ CH …

We report a permutationally invariant global potential energy surface (PES) for the H+ CH 4
system based on∼ 63 000 data points calculated at a high ab initio level (UCCSD (T) …

Ammonia is a potential fuel for the storage of thermal energy. Experimental data were
collected for homogeneous ammonia combustion: ignition delay times measured in shock …

We report calculations of the reaction rates of O (3P)+ CH4→ OH+ CH3 and O (3P)+ CD4→
OD+ CD3 over the temperature range 300− 2500 K. The calculations are based on …

A new analytical potential energy surface is presented for the reaction of hydrogen
abstraction from methane by a hydrogen atom. It is based on an analytical expression …

A new full-dimensional potential energy surface for the title reaction has been constructed
using the modified Shepard interpolation scheme. Energies and derivatives were calculated …