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 …
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 …
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 …
approaches suitable to generate ab initio data that may be employed in the construction of …
A chemical model for the atmosphere of hot Jupiters
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 …
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 …
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) …
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 …
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
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 …
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 …
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 …
An overview of experimental techniques that have been developed to extract photofragment …