Spectroscopy of radicals, clusters, and transition states using slow electron velocity-map imaging of cryogenically cooled anions
DM Neumark - The Journal of Physical Chemistry A, 2023 - ACS Publications
Slow electron velocity-map imaging of cryogenically cooled anions (cryo-SEVI) is a high-
resolution variant of anion photoelectron spectroscopy that has been applied with …
resolution variant of anion photoelectron spectroscopy that has been applied with …
Invited review article: photofragment imaging
AG Suits - Review of Scientific Instruments, 2018 - pubs.aip.org
Photodissociation studies in molecular beams that employ position-sensitive particle
detection to map product recoil velocities emerged thirty years ago and continue to evolve …
detection to map product recoil velocities emerged thirty years ago and continue to evolve …
Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation
BR Heazlewood, MJT Jordan… - Proceedings of the …, 2008 - National Acad Sciences
Reaction pathways that bypass the conventional saddle-point transition state (TS) are of
considerable interest and importance. An example of such a pathway, termed “roaming,” has …
considerable interest and importance. An example of such a pathway, termed “roaming,” has …
The reaction of acetylene with hydroxyl radicals
JP Senosiain, SJ Klippenstein… - The Journal of Physical …, 2005 - ACS Publications
The potential energy surface for the reaction between OH and acetylene has been
calculated using the RQCISD (T) method and extrapolated to the complete basis-set limit …
calculated using the RQCISD (T) method and extrapolated to the complete basis-set limit …
High-resolution photoelectron spectroscopy of vibrationally excited vinoxide anions
High-resolution photoelectron spectra of vibrationally pre-excited vinoxide anions (CH2CHO–
) are reported using the recently developed IR-cryo-SEVI technique. This method is …
) are reported using the recently developed IR-cryo-SEVI technique. This method is …
Beyond two-state conical intersections. Three-state conical intersections in low symmetry molecules: The allyl radical
S Matsika, DR Yarkony - Journal of the American Chemical …, 2003 - ACS Publications
Using multireference configuration interaction expansions comprised of over 7 million
configuration state functions, three-state conical intersections are reported for the closely …
configuration state functions, three-state conical intersections are reported for the closely …
Experimental and theoretical studies of the O (3P)+ C2H4 reaction dynamics: Collision energy dependence of branching ratios and extent of intersystem crossing
B Fu, YC Han, JM Bowman, F Leonori… - The Journal of …, 2012 - pubs.aip.org
The reaction of O (3 P) with C 2 H 4, of importance in combustion and atmospheric
chemistry, stands out as paradigm reaction involving not only the indicated triplet state …
chemistry, stands out as paradigm reaction involving not only the indicated triplet state …
Pathways and rate coefficients for the decomposition of vinoxy and acetyl radicals
JP Senosiain, SJ Klippenstein… - The Journal of Physical …, 2006 - ACS Publications
The potential in the vicinity of the stationary points on the surface for the decomposition of
ground-state vinoxy and acetyl radicals has been calculated using the RQCISD (T) method …
ground-state vinoxy and acetyl radicals has been calculated using the RQCISD (T) method …
Accidental conical intersections of three states of the same symmetry. I. Location and relevance
S Matsika, DR Yarkony - The Journal of chemical physics, 2002 - pubs.aip.org
An efficient algorithm for locating conical intersections of three states of the same symmetry
is presented. The algorithm, which derives its efficiency from the use of analytic gradient …
is presented. The algorithm, which derives its efficiency from the use of analytic gradient …
Kasha's rule and Koopmans' correlations for electron tunnelling through repulsive Coulomb barriers in a polyanion
JA Gibbard, JRR Verlet - The Journal of Physical Chemistry Letters, 2022 - ACS Publications
The long-range electronic structure of polyanions is defined by the repulsive Coulomb
barrier (RCB). Excited states can decay by resonant electron tunnelling through RCBs, but …
barrier (RCB). Excited states can decay by resonant electron tunnelling through RCBs, but …