Chemical reaction dynamics beyond the Born-Oppenheimer approximation

LJ Butler - Annual review of physical chemistry, 1998 - annualreviews.org
▪ Abstract To predict the branching between energetically allowed product channels,
chemists often rely on statistical transition state theories or exact quantum scattering …

[图书][B] Photodissociation dynamics: spectroscopy and fragmentation of small polyatomic molecules

R Schinke - 1995 - books.google.com
Photodissociation induced by the absorption of single photons permits the detailed study of
molecular dynamics such as the breaking of bonds, internal energy transfer and …

Single-and multireference electronic structure calculations for constructing potential energy surfaces

R Dawes, SA Ndengué - International Reviews in Physical …, 2016 - Taylor & Francis
Recent developments in single and multireference electronic structure methods and the
approaches suitable to generate ab initio data that may be employed in the construction of …

A chemical model for the atmosphere of hot Jupiters

O Venot, E Hébrard, M Agúndez, M Dobrijevic… - Astronomy & …, 2012 - aanda.org
Context. The atmosphere of hot Jupiters can be probed by primary transit and secondary
eclipse spectroscopy. Owing to the intense UV irradiation, mixing, and circulation, their …

Accurate nonadiabatic dynamics

H Guo, DR Yarkony - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
This Perspective addresses the use of coupled diabatic potential energy surfaces (PESs)
together with rigorous quantum dynamics in full or reduced dimensional coordinate spaces …

Evidence for a second molecular channel in the fragmentation of formaldehyde

RD van Zee, MF Foltz, CB Moore - The Journal of chemical physics, 1993 - pubs.aip.org
This paper reports CO (v, J) distributions from photolysis on the 2W, 45, 2161, 2143, and
2341 bands of H2CO and the 2243 band of D2CO. A significant fraction of the CO (v= O) …

[图书][B] Ultraviolet spectroscopy and UV lasers

P Misra, MA Dubinskii - 2002 - books.google.com
This volume presents a complete and thorough examination of advances in the
instrumentation, evaluation, and implementation of UV technology for reliable and efficient …

Coupling of oxygen, nitrogen, and hydrocarbon species in the photochemistry of Titan's atmosphere

M Dobrijevic, E Hébrard, JC Loison, KM Hickson - Icarus, 2014 - Elsevier
Abstract Analysis of recent detections of water by Herschel/HIFI-PACS and Cassini/CIRS
suggest for a steep gradient of the water profile in the lower stratosphere of Titan's …

An extensively validated C/H/O/N chemical network for hot exoplanet disequilibrium chemistry

R Veillet, O Venot, B Sirjean, R Bounaceur… - Astronomy & …, 2024 - aanda.org
Context. The reliability of one-dimensional disequilibrium chemistry models in hot exoplanet
atmospheres depends on the chemical network used. To develop robust networks, we can …

Photodissociation dynamics

LJ Butler, DM Neumark - The Journal of Physical Chemistry, 1996 - ACS Publications
Advances in the study of photodissociation dynamics over the past 30 years are reviewed.
An overview of experimental techniques that have been developed to extract photofragment …