Quantum scattering calculations on chemical reactions

SC Althorpe, DC Clary - Annual review of physical chemistry, 2003 - annualreviews.org
▪ Abstract This review discusses recent quantum scattering calculations on bimolecular
chemical reactions in the gas phase. This theory provides detailed and accurate predictions …

Imaging the dynamics of gas phase reactions

MNR Ashfold, NH Nahler, AJ Orr-Ewing… - Physical Chemistry …, 2006 - pubs.rsc.org
Ion imaging methods are making ever greater impact on studies of gas phase molecular
reaction dynamics. This article traces the evolution of the technique, highlights some of the …

Observation of the geometric phase effect in the H + HD → H2 + D reaction

D Yuan, Y Guan, W Chen, H Zhao, S Yu, C Luo, Y Tan… - Science, 2018 - science.org
Theory has established the importance of geometric phase (GP) effects in the adiabatic
dynamics of molecular systems with a conical intersection connecting the ground-and …

Chemical reaction dynamics with molecular beams

P Casavecchia - Reports on Progress in Physics, 2000 - iopscience.iop.org
This review describes advances which have occurred during the past decade in chemical
reaction dynamics using crossed molecular beams. After a brief historical introduction …

Quantum interference in H + HD → H2 + D between direct abstraction and roaming insertion pathways

Y Xie, H Zhao, Y Wang, Y Huang, T Wang, X Xu… - Science, 2020 - science.org
Understanding quantum interferences is essential to the study of chemical reaction
dynamics. Here, we provide an interesting case of quantum interference between two …

CROSSED-BEAM STUDIES OF NEUTRAL REACTIONS: State-Specific Differential Cross Sections

K Liu - Annual Review of Physical Chemistry, 2001 - annualreviews.org
▪ Abstract Crossed-molecular-beam and laser techniques have enabled experimentalists to
measure the state-resolved differential cross sections of elementary chemical reactions. This …

Theoretical study of geometric phase effects in the hydrogen-exchange reaction

JC Juanes-Marcos, SC Althorpe, E Wrede - Science, 2005 - science.org
The crossing of two electronic potential surfaces (a conical intersection) should result in
geometric phase effects even for molecular processes confined to the lower surface …

A hierarchical family of global analytic Born–Oppenheimer potential energy surfaces for the reaction ranging in quality from double-zeta to the complete basis …

SL Mielke, BC Garrett, KA Peterson - The Journal of chemical physics, 2002 - pubs.aip.org
A hierarchical family of analytical Born–Oppenheimer potential energy surfaces has been
developed for the H+ H 2 system. Ab initio calculations of near full configuration interaction …

Scattering resonances in the simplest chemical reaction

F Fernández-Alonso, RN Zare - Annual review of physical …, 2002 - annualreviews.org
▪ Abstract Recent studies of state-resolved angular distributions show the participation of
reactive scattering resonances in the simplest chemical reaction. This review is intended for …

Observation of the geometric phase effect in the H+HD→H2+D reaction below the conical intersection

D Yuan, Y Huang, W Chen, H Zhao, S Yu, C Luo… - Nature …, 2020 - nature.com
It has long been known that there is a conical intersection (CI) between the ground and first
excited electronic state in the H3 system. Its associated geometric phase (GP) effect has …