This article reviews the fundamentals of variational transition state theory (VTST), its recent
theoretical development, and some modern applications. The theoretical methods reviewed …

This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …

The first half of the title of this book may delude the uninitiated reader. The term'" Jahn-Teller
effect," taken literally, refers to a special effect inherent in particular molecular systems …

A new hybrid Hartree− Fock− density functional (HF-DF) model called the modified Perdew−
Wang 1-parameter model for kinetics (MPW1K) is optimized against a database of 20 …

I begin this review with a statement that the socalled Jahn-Teller (JT) effect (hereafter JTE),
pseudo-JTE (PJTE), and Renner-Teller effect (RTE), jointly JT vibronic coupling effects, are …

The physical and chemical processes leading to the formation of molecules in the interstellar
medium (ISM) sthe vast voids between the starssfascinated scientists since the first detection …

As the main constituent of natural gas, alkanes are arguably Nature's most plentiful organic
base chemicals that are easily accessible. Chemists have long coveted the use of alkanes …

The OH radical is the most important radical in combustion and in the atmosphere, and
methanol is a fuel and antifreeze additive, model biofuel, and trace atmospheric constituent …

▪ Abstract This paper describes the reproducing kernel Hilbert space (RKHS) method for
constructing accurate, smooth, and efficient global potential energy surface (PES) …

There are many open questions about prebiotic chemistry in both planetary and
exoplanetary environments. The increasing number of known exoplanets and other ultra …