Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction

D Yuan, S Yu, W Chen, J Sang, C Luo, T Wang, X Xu… - Nature …, 2018 - nature.com
Accurate measurements of product state-resolved angular distributions are central to
fundamental studies of chemical reaction dynamics. Yet, fine quantum-mechanical …

Alignment and chirality in gaseous flows

A Lombardi, GS Maciel, F Palazzetti… - Journal of the Vacuum …, 2010 - jstage.jst.go.jp
Advances in experimental vacuum technology allow the generation of molecular beams
containing oriented molecules. We will focus our review on the so-called collisional …

Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+ H2 reaction at low temperature

V Aquilanti, KC Mundim, S Cavalli, D De Fazio… - Chemical Physics, 2012 - Elsevier
Activation energies Ea calculated as the negative of the logarithmic derivatives of rate
constants with respect to the inverse of absolute temperature T, are presented for three …

The He + H2+ → HeH+ + H reaction: Ab initio studies of the potential energy surface, benchmark time-independent quantum dynamics in an extended energy …

D De Fazio, M de Castro-Vitores, A Aguado… - The Journal of …, 2012 - pubs.aip.org
The He + |${\rm H}_2^+$|H2+ → HeH+ + H reaction: Ab initio studies of the potential energy
surface, benchmark time-independent quantum dynamics in an extended energy range and …

The H+ HeH+→ He+ H 2+ reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants

D De Fazio - Physical Chemistry Chemical Physics, 2014 - pubs.rsc.org
In this work, we present a quantum mechanical scattering study of the title reaction from 1
mK to 2000 K. Total integral cross sections and thermal rate constants are compared with …

A review of dynamical resonances in A+ BC chemical reactions

Z Ren, Z Sun, D Zhang, X Yang - Reports on Progress in Physics, 2016 - iopscience.iop.org
The concept of the transition state has played an important role in the field of chemical
kinetics and reaction dynamics. Reactive resonances in the transition-state region can …

Complementarity between Quantum and Classical Mechanics in Chemical Modeling. The H + HeH+ → H2+ + He Reaction: A Rigourous Test for Reaction …

F Esposito, CM Coppola… - The Journal of Physical …, 2015 - ACS Publications
In this work we present a dynamical study of the H+ HeH+→ H2++ He reaction in a collision
energy range from 0.1 meV to 10 eV, suitable to be used in applicative models. The paper …

Glories, hidden rainbows and nearside–farside interference effects in the angular scattering of the state-to-state H+ HD→ H 2+ D reaction

C Xiahou, JNL Connor - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Yuan et al.[Nat. Chem., 2018, 10, 653] have reported state-of-the-art measurements of
differential cross sections (DCSs) for the H+ HD→ H2+ D reaction, measuring for the first …

Exploring the accuracy level of new potential energy surfaces for the F+ HD reactions: from exact quantum rate constants to the state-to-state reaction dynamics

D De Fazio, JM Lucas, V Aquilanti… - Physical chemistry …, 2011 - pubs.rsc.org
Exact quantum reactive scattering calculations in the collision energy range 1–250 meV
have been carried out for both the isotopic product channels of the title system. The …

Quantum State-to-State Dynamics of the H + LiH → H2 + Li Reaction

X He, H Wu, P Zhang, Y Zhang - The Journal of Physical …, 2015 - ACS Publications
State-to-state quantum dynamics calculations for the H+ LiH (v= 0–1, j= 0)→ H2+ Li
reactions are performed based on an ab initio ground electronic state potential energy …