Quantum dynamics of complex-forming bimolecular reactions

H Guo - International Reviews in Physical Chemistry, 2012 - Taylor & Francis
Many gas-phase chemical reactions proceed via reaction intermediates, supported by
potential wells. The characteristics of such complex-forming reactions differ drastically from …

[图书][B] Tutorials in molecular reaction dynamics

M Brouard, C Vallance - 2015 - books.google.com
The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters
are all written by internationally recognised researchers and, from the outset, the …

Conversion by Proton Exchange at Low Temperature: <?format ?>An Accurate Quantum Mechanical Study

P Honvault, M Jorfi, T González-Lezana, A Faure… - Physical Review Letters, 2011 - APS
We report extensive, accurate fully quantum, time-independent calculations of cross sections
at low collision energies, and rate coefficients at low temperatures for the H++ H 2 (v= 0, j)→ …

A combined theoretical and experimental investigation of the kinetics and dynamics of the O (1 D)+ D 2 reaction at low temperature

D Nuñez-Reyes, KM Hickson, P Larrégaray… - Physical Chemistry …, 2018 - pubs.rsc.org
The O (1D)+ H2 reaction is a prototype for simple atom–diatom insertion type mechanisms
considered to involve deep potential wells. While exact quantum mechanical methods can …

Statistical product distributions for ultracold reactions in external fields

ML González-Martínez, O Dulieu, P Larrégaray… - Physical Review A, 2014 - APS
The main limitation of most ultracold chemistry studies to date is the lack of an analysis of
reaction products. Here, we discuss a generally tractable, rigorous theoretical framework for …

On the statistical behavior of the O+ OH→ H+ O2 reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations

M Jorfi, P Honvault, P Bargueño… - The Journal of …, 2009 - pubs.aip.org
The dynamics of the O+ OH reaction on the ground state potential energy surface (PES) is
investigated by means of the quasiclassical trajectory method and two statistical methods …

Atom–Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems

D Koner, L Barrios, T González-Lezana, AN Panda - Molecules, 2021 - mdpi.com
The study of the dynamics of atom–diatom reactions involving two rare gas (Rg) atoms and
protons is of crucial importance given the astrophysical relevance of these processes. In a …

State-to-state quantum dynamics of the O (P3)+ OH (Π2)→ H (S2)+ O2 (Σ3g−) reaction

J Ma, SY Lin, H Guo, Z Sun, DH Zhang… - The Journal of chemical …, 2010 - pubs.aip.org
The authors report a detailed quantum mechanical study of the state-to-state dynamics of the
O+ OH (vi= 0, ji= 0)→ H+ O 2 (vf, jf) reaction on an accurate HO 2 (X 2 A ″) potential energy …

Experimental and Theoretical Study of the O(1D) + HD Reaction

D Nuñez-Reyes, KM Hickson… - The Journal of …, 2019 - ACS Publications
This work addresses the kinetics and dynamics of the gas-phase reaction between O (1D)
and HD molecules down to low temperature. Here, measurements were performed by using …

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 …