Reactions of metal cluster anions with inorganic and organic molecules in the gas phase
YX Zhao, QY Liu, MQ Zhang, SG He - Dalton Transactions, 2016 - pubs.rsc.org
The study of gas phase ion–molecule reactions by state-of-the-art mass spectrometric
experiments in conjunction with quantum chemistry calculations offers an opportunity to …
experiments in conjunction with quantum chemistry calculations offers an opportunity to …
[HTML][HTML] Insight into ethylene interactions with molybdenum suboxide cluster anions from photoelectron spectra of chemifragments
RN Schaugaard, JE Topolski, M Ray… - The Journal of …, 2018 - pubs.aip.org
Recent studies on reactions between Mo x O y− cluster anions and H 2 O/C 2 H 4 mixtures
revealed a complex web of addition, hydrogen evolution, and chemifragmentation reactions …
revealed a complex web of addition, hydrogen evolution, and chemifragmentation reactions …
The striking influence of oxophilicity differences in heterometallic Mo–Mn oxide cluster reactions with water
JL Mason, AK Gupta, AJ McMahon… - The Journal of …, 2020 - pubs.aip.org
Mixed-metal oxides have proven to be effective catalysts for the hydrogen evolution reaction,
often outperforming either of the binary metal oxides. The reactivity of Mn x MoO y−(x= 1, 2; …
often outperforming either of the binary metal oxides. The reactivity of Mn x MoO y−(x= 1, 2; …
Microstructure evolution of FD-POEM powders during high-temperature plasma spheroidization
The freeze–dry pulsated orifice ejection method (FD-POEM) can be coupled with plasma
spheroidization (PS) as an advanced approach for fabricating spherical refractory powders …
spheroidization (PS) as an advanced approach for fabricating spherical refractory powders …
Hydrogen evolution from water reactions with molybdenum sulfide cluster anions
JE Topolski, AK Gupta, KA Nickson… - International Journal of …, 2018 - Elsevier
A study of reactions between a distribution of 98 Mo x S y-clusters ranging from sub-sulfide
(x∼ y) to hypersulfide (y> 2x) is presented, compared with previous studies on homologous …
(x∼ y) to hypersulfide (y> 2x) is presented, compared with previous studies on homologous …
[HTML][HTML] Exotic electronic structures of SmxCe3− xOy (x= 0-3; y= 2-4) clusters and the effect of high neutral density of low-lying states on photodetachment transition …
JE Topolski, JO Kafader, V Marrero-Colon… - The Journal of …, 2018 - pubs.aip.org
Lanthanide (Ln) oxide clusters have complex electronic structures arising from the partially
occupied Ln 4f subshell. New anion photoelectron (PE) spectra of Sm x Ce 3− x O y−(x= 0 …
occupied Ln 4f subshell. New anion photoelectron (PE) spectra of Sm x Ce 3− x O y−(x= 0 …
Using anion photoelectron spectroscopy of cluster models to gain insights into mechanisms of catalyst-mediated H 2 production from water
AJ McMahon, CC Jarrold - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
Metal oxide cluster models of catalyst materials offer a powerful platform for probing the
molecular-scale features and interactions that govern catalysis. This perspective gives an …
molecular-scale features and interactions that govern catalysis. This perspective gives an …
Molybdenum Oxide Cluster Anion Reactions with C2H4 and H2O: Cooperativity and Chemifragmentation
M Ray, RN Schaugaard, JE Topolski… - The Journal of …, 2018 - ACS Publications
To probe the mechanism of sacrificial reagents in catalytic processes, product distributions
from Mo x O y–clusters reacting individually with C2H4 and H2O are compared with those …
from Mo x O y–clusters reacting individually with C2H4 and H2O are compared with those …
Density functional theory study of the reaction between VO− and water
Y Cheng, RZ Li, XY Xu, L Lu - Chemical Physics Letters, 2022 - Elsevier
The interactions of vanadium monoxide anion (VO−) with water were investigated by density
functional calculation. The theoretical calculations confirmed that HOV (OH)− was generated …
functional calculation. The theoretical calculations confirmed that HOV (OH)− was generated …
[图书][B] Theoretical Advances in Composite Energy Methods, Chemical Deep Learning, and Transition Metal Catalysis
AK Gupta - 2021 - search.proquest.com
Methods based on quantum mechanics can accurately describe chemical systems but at a
high computational cost. The steep computational scaling of popular quantum chemical …
high computational cost. The steep computational scaling of popular quantum chemical …