▪ Abstract To predict the branching between energetically allowed product channels,
chemists often rely on statistical transition state theories or exact quantum scattering …

In this work, we have studied the initial reaction step after photoexcitation of protonated N-
nitrosopiperidine both in the gas and condensed phases. To achieve this end, we have …

Photochemistry of 3-and 4-methoxyphenyl azide at 266 nm has been studied by means of
the complete active space self-consistent field (CASSCF) and multi-configurational second …

The photochemical decomposition of 4-methoxyphenyl azide (CH3O-Ph-N3) is investigated
using multiconfigurational second-order perturbation theory (MS-CASPT2). In addition, the …

In the present work, we demonstrate that the formation of triplet and singlet phenylnitrene,
when arises from the photodissociation of phenyl azide, fulfills El-Sayed's rules or the …

In this work, we have studied the photodissociation of the protonated derivatives of N-
nitrosodimethylamine [(CH 3) 2 N–NO] with the CASPT2 method. It is found that only one of …

N, N-Dimethylformamide,(CH3) 2NCHO, is the simplest tertiary amide and a model
compound for investigating the photofragmentation of peptide bonds. We report the results …

Measurement of the photofragment velocity and angular distributions from the
photodissociation of N, N-dimethylformamide at 193 nm in its π nb π* absorption evidences …

The potential energy surfaces for the dissociation of nitramide (NH2NO2→ NH2+ NO2) and
nitromethane (CH3NO2→ CH3+ NO2) and the nitro-nitrite rearrangement of these …

The potential energy surfaces for CH3CONH2 dissociation into CH3+ CONH2, CH3CO+
NH2, CH3CN+ H2O, and CH3NH2+ CO in the ground and lowest triplet states have been …