Ultracold molecules and ultracold chemistry
MT Bell, T P. Softley - Molecular Physics, 2009 - Taylor & Francis
The recent development of a range of new methods for producing samples of gas-phase
molecules that are translationally cold (K) or ultracold (mK) is driving efforts to study reactive …
molecules that are translationally cold (K) or ultracold (mK) is driving efforts to study reactive …
Roaming atoms and radicals: a new mechanism in molecular dissociation
AG Suits - Accounts of chemical research, 2008 - ACS Publications
The detailed description of chemical reaction rates is embodied in transition state theory
(TST), now recognized as one of the great achievements of theoretical chemistry. TST …
(TST), now recognized as one of the great achievements of theoretical chemistry. TST …
Global mapping of equilibrium and transition structures on potential energy surfaces by the scaled hypersphere search method: applications to ab initio surfaces of …
S Maeda, K Ohno - The Journal of Physical Chemistry A, 2005 - ACS Publications
Technical details of a new global mapping technique for finding equilibrium (EQ) and
transition structures (TS) on potential energy surfaces (PES), the scaled hypersphere search …
transition structures (TS) on potential energy surfaces (PES), the scaled hypersphere search …
Photophysical oxidation of HCHO produces HO2 radicals
BA Welsh, ME Corrigan, E Assaf, K Nauta… - Nature Chemistry, 2023 - nature.com
Formaldehyde, HCHO, is the highest-volume carbonyl in the atmosphere. It absorbs sunlight
at wavelengths shorter than 330 nm and photolyses to form H and HCO radicals, which then …
at wavelengths shorter than 330 nm and photolyses to form H and HCO radicals, which then …
Orbiting resonances in formaldehyde reveal coupling of roaming, radical, and molecular channels
The roaming chemical reaction mechanism involves near-dissociation of an energized
molecule to radicals that leads instead to intramolecular reaction after reorientation at long …
molecule to radicals that leads instead to intramolecular reaction after reorientation at long …
Three-state trajectory surface hopping studies of the photodissociation dynamics of formaldehyde on ab initio potential energy surfaces
B Fu, BC Shepler, JM Bowman - Journal of the American …, 2011 - ACS Publications
Full-dimensional, three-state, surface hopping calculations of the photodissociation
dynamics of formaldehyde are reported on ab initio potential energy surfaces (PESs) for …
dynamics of formaldehyde are reported on ab initio potential energy surfaces (PESs) for …
Removal of formaldehyde from gas streams via packed-bed dielectric barrier discharge plasmas
HX Ding, AM Zhu, XF Yang, CH Li… - Journal of Physics D …, 2005 - iopscience.iop.org
Formaldehyde is a major indoor air pollutant and can cause serious health disorders in
residents. This work reports the removal of formaldehyde from gas streams via alumina …
residents. This work reports the removal of formaldehyde from gas streams via alumina …
The roaming atom pathway in formaldehyde decomposition
SA Lahankar, SD Chambreau, D Townsend… - The Journal of …, 2006 - pubs.aip.org
We present a detailed experimental and theoretical investigation of formaldehyde
photodissociation to H 2 and CO following excitation to the 2 1 4 1 and 2 1 4 3 transitions in …
photodissociation to H 2 and CO following excitation to the 2 1 4 1 and 2 1 4 3 transitions in …
Photodissociation of simple molecules in the gas phase
H Sato - Chemical reviews, 2001 - ACS Publications
Photodissociation of Simple Molecules in the Gas Phase | Chemical Reviews ACS ACS
Publications C&EN CAS Find my institution Log In Chemical Reviews ACS Publications. Most …
Publications C&EN CAS Find my institution Log In Chemical Reviews ACS Publications. Most …
New insights on reaction dynamics from formaldehyde photodissociation
JM Bowman, X Zhang - Physical Chemistry Chemical Physics, 2006 - pubs.rsc.org
We review the photodissociation dynamics of formaldehyde with an emphasis on recent
calculations that make use of a global ab initio-based potential energy surface for the S0 …
calculations that make use of a global ab initio-based potential energy surface for the S0 …