Quantum interference between H + D2 quasiclassical reaction mechanisms

PG Jambrina, D Herráez-Aguilar, FJ Aoiz, M Sneha… - Nature …, 2015 - nature.com
Interferences are genuine quantum phenomena that appear whenever two seemingly
distinct classical trajectories lead to the same outcome. They are common in elastic …

Quantum and quasi-classical dynamics of the C (3 P)+ O 2 (3 Σ− g)→ CO (1 Σ+)+ O (1 D) reaction on its electronic ground state

S Goswami, JCSV Veliz, M Upadhyay… - Physical Chemistry …, 2022 - pubs.rsc.org
The dynamics of the C (3P)+ O2 (3Σ− g)→ CO (1Σ+)+ O (1D) reaction on its electronic
ground state is investigated by using time-dependent wave packet propagation (TDWP) and …

Collision-induced rotational excitation in N 2+(2 Σ g+, v=)–Ar: Comparison of computations and experiment

OT Unke, JC Castro-Palacio, RJ Bemish… - The Journal of chemical …, 2016 - pubs.aip.org
The collisional dynamics of N 2+(2 Σ g+) cations with Ar atoms is studied using quasi-
classical simulations. N 2+–Ar is a proxy to study cooling of molecular ions and interesting in …

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 …

Angular momentum–scattering angle quantum correlation: a generalized deflection function

PG Jambrina, M Menéndez, FJ Aoiz - Chemical Science, 2018 - pubs.rsc.org
A natural generalization of the classical deflection function, the functional dependence of the
deflection angle on the angular momentum (or the impact parameter), is the joint probability …

Effects of reagent rotation on interferences in the product angular distributions of chemical reactions

PG Jambrina, J Aldegunde, FJ Aoiz, M Sneha… - Chemical …, 2016 - pubs.rsc.org
Differential cross sections (DSCs) of the HD (v′, j′) product for the reaction of H atoms with
supersonically cooled D2 molecules in a small number of initial rotational states have been …

Quantum interference in the mechanism of H+ LiH+→ H 2+ Li+ reaction dynamics

J Sahoo, AMS Rawat, S Mahapatra - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
In this work, the detailed reaction mechanism of the astrochemically relevant exoergic and
barrierless H+ LiH+→ H2+ Li+ reaction is investigated by both time-dependent wave packet …

State-to-State Dynamics of the Ne + HeH+ (v = 0, j = 0) → NeH+(v′, j′) + He Reaction

D Koner, L Barrios, T González-Lezana… - The Journal of …, 2016 - ACS Publications
The dynamics of the Ne+ HeH+ (v= 0, j= 0)→ NeH+ (v′, j′)+ He reaction was analyzed in
detail at the state-to-state level. A time-independent quantum mechanical (TIQM) method …

The effect of the reactant internal excitation on the dynamics of the C++ H 2 reaction

D Herráez-Aguilar, PG Jambrina… - Physical Chemistry …, 2014 - pubs.rsc.org
We have performed a dynamical study of the endothermic and barrierless C++ H2 (1Σg+)→
CH+ (1Σg+)+ H reaction for different initial rotational states of the H2 (v= 0) and H2 (v= 1) …

State-resolved differential and integral cross sections for the Ne+ H2+ (v= 0–2, j= 0)→ NeH++ H reaction

H Wu, CX Yao, XH He, PY Zhang - The Journal of Chemical Physics, 2016 - pubs.aip.org
State-to-state quantum dynamic calculations for the proton transfer reaction Ne+ H 2+(v= 0–
2, j= 0) are performed on the most accurate LZHH potential energy surface, with the product …