Slow photoelectron velocity-map imaging of cryogenically cooled anions

ML Weichman, DM Neumark - Annual review of physical …, 2018 - annualreviews.org
Slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled anions (cryo-
SEVI) is a powerful technique for elucidating the vibrational and electronic structure of …

Unveiling the unconventional roles of methyl number on the ring-opening barrier in photocatalytic decomposition of benzene, toluene and o-xylene

R Chen, J Li, J Sheng, W Cui, P Chen, H Wang… - Applied Catalysis B …, 2020 - Elsevier
The ring-opening reaction is the rate-determining step for photocatalytic decomposition of
aromatic VOCs with different methyl number. However, as a key challenge, the intrinsic …

Photocatalytic destruction of volatile aromatic compounds by platinized titanium dioxide in relation to the relative effect of the number of methyl groups on the benzene …

J Zhang, K Vikrant, KH Kim, F Dong - Science of the Total Environment, 2022 - Elsevier
The photocatalytic destruction (PCD) of volatile organic compounds (VOC) into
environmentally benign compounds is one of the most ideal routes for the management of …

Photochemistry of the pyruvate anion produces CO2, CO, CH3, CH3, and a low energy electron

CJ Clarke, JA Gibbard, L Hutton, JRR Verlet… - Nature …, 2022 - nature.com
The photochemistry of pyruvic acid has attracted much scientific interest because it is
believed to play critical roles in atmospheric chemistry. However, under most …

Encoding of vinylidene isomerization in its anion photoelectron spectrum

JA DeVine, ML Weichman, B Laws, J Chang, MC Babin… - Science, 2017 - science.org
Vinylidene-acetylene isomerization is the prototypical example of a 1, 2-hydrogen shift, one
of the most important classes of isomerization reactions in organic chemistry. This reaction …

The Impact of Larger Basis Sets and Explicitly Correlated Coupled Cluster Theory on the Feller–Peterson–Dixon Composite Method

D Feller, KA Peterson, DA Dixon - Annual Reports in Computational …, 2016 - Elsevier
The degree of completeness in the one-particle expansion, which in most standard orbital–
based electronic structure methods involves atom-centered Gaussian basis functions, is …

Annihilating actinic photochemistry of the pyruvate anion by one and two water molecules

W Cao, Z Hu, X Peng, H Sun, Z Sun… - Journal of the American …, 2022 - ACS Publications
Photochemical behaviors of pyruvic acid in multiple phases have been extensively studied,
while those of its conjugate base, the pyruvate anion (CH3COCOO–, PA–) are less …

Methyl cation affinities of canonical organic functional groups

D Kadish, AD Mood, M Tavakoli… - The Journal of …, 2021 - ACS Publications
Methyl cation affinities are calculated for the canonical nucleophilic functional groups in
organic chemistry. These methyl cation affinities, calculated with a solvation model (MCA*) …

Photoelectron Spectrum and Energetics of the meta-Xylylene Diradical

M Steglich, VBF Custodis, AJ Trevitt… - Journal of the …, 2017 - ACS Publications
The meta-xylylene diradical m-C8H8 is a prototypical organic triplet that represents a
building block for organic molecule-based magnets and also serves as a model compound …

Application of a convergent, composite coupled cluster approach to bound state, adiabatic electron affinities in atoms and small molecules

D Feller - The Journal of Chemical Physics, 2016 - pubs.aip.org
Benchmark quality adiabatic electron affinities for a collection of atoms and small molecules
were obtained with the Feller-Peterson-Dixon composite coupled cluster theory method …