Recent advances in quantum dynamics of bimolecular reactions
DH Zhang, H Guo - Annual review of physical chemistry, 2016 - annualreviews.org
In this review, we survey the latest advances in theoretical understanding of bimolecular
reaction dynamics in the past decade. The remarkable recent progress in this field has been …
reaction dynamics in the past decade. The remarkable recent progress in this field has been …
Taking the plunge: chemical reaction dynamics in liquids
AJ Orr-Ewing - Chemical Society Reviews, 2017 - pubs.rsc.org
The dynamics of chemical reactions in liquid solutions are now amenable to direct study
using ultrafast laser spectroscopy techniques and advances in computer simulation …
using ultrafast laser spectroscopy techniques and advances in computer simulation …
Imaging the onset of the resonance regime in low-energy NO-He collisions
At low energies, the quantum wave–like nature of molecular interactions results in distinctive
scattering behavior, ranging from the universal Wigner laws near 0 kelvin to the occurrence …
scattering behavior, ranging from the universal Wigner laws near 0 kelvin to the occurrence …
Direct chemical dynamics simulations
S Pratihar, X Ma, Z Homayoon… - Journal of the …, 2017 - ACS Publications
In a direct dynamics simulation, the technologies of chemical dynamics and electronic
structure theory are coupled so that the potential energy, gradient, and Hessian required …
structure theory are coupled so that the potential energy, gradient, and Hessian required …
Ephemeral collision complexes mediate chemically termolecular transformations that affect system chemistry
MP Burke, SJ Klippenstein - Nature chemistry, 2017 - nature.com
Termolecular association reactions involve ephemeral collision complexes—formed from
the collision of two molecules—that collide with a third and chemically inert 'bath gas' …
the collision of two molecules—that collide with a third and chemically inert 'bath gas' …
Imaging resonances in low-energy NO-He inelastic collisions
SN Vogels, J Onvlee, S Chefdeville, A van der Avoird… - Science, 2015 - science.org
In molecular collisions, resonances occur at specific energies at which the colliding particles
temporarily form quasibound complexes, resulting in rapid variations in the energy …
temporarily form quasibound complexes, resulting in rapid variations in the energy …
Observation of Partial Wave Resonances in Low-Energy O2–H2 Inelastic Collisions
S Chefdeville, Y Kalugina, SYT van de Meerakker… - Science, 2013 - science.org
Partial wave resonances predicted to occur in bimolecular collision processes have proven
challenging to observe experimentally. Here, we report crossed-beam experiments and …
challenging to observe experimentally. Here, we report crossed-beam experiments and …
Enhancing reactivity of SiO+ ions by controlled excitation to extreme rotational states
S Venkataramanababu, A Li, IO Antonov… - Nature …, 2023 - nature.com
Optical pumping of molecules provides unique opportunities for control of chemical
reactions at a wide range of rotational energies. This work reports a chemical reaction with …
reactions at a wide range of rotational energies. This work reports a chemical reaction with …
Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD + OH → H2O + D
Quantum dynamical theories have progressed to the stage in which state-to-state differential
cross sections can now be routinely computed with high accuracy for three-atom systems …
cross sections can now be routinely computed with high accuracy for three-atom systems …
State-resolved diffraction oscillations imaged for inelastic collisions of NO radicals with He, Ne and Ar
A Von Zastrow, J Onvlee, SN Vogels… - Nature …, 2014 - nature.com
Just as light scattering from an object results in diffraction patterns, the quantum mechanical
nature of molecules can lead to the diffraction of matter waves during molecular collisions …
nature of molecules can lead to the diffraction of matter waves during molecular collisions …