Quantum dynamics of photodissociation: recent advances and challenges

S Han, C Xie, X Hu, DR Yarkony, H Guo… - The Journal of Physical …, 2023 - ACS Publications
Recent advances in constructing accurate potential energy surfaces and nonadiabatic
couplings from high-level ab initio data have revealed detailed potential landscapes in not …

Single-and multireference electronic structure calculations for constructing potential energy surfaces

R Dawes, SA Ndengué - International Reviews in Physical …, 2016 - Taylor & Francis
Recent developments in single and multireference electronic structure methods and the
approaches suitable to generate ab initio data that may be employed in the construction of …

Accurate nonadiabatic dynamics

H Guo, DR Yarkony - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
This Perspective addresses the use of coupled diabatic potential energy surfaces (PESs)
together with rigorous quantum dynamics in full or reduced dimensional coordinate spaces …

[图书][B] Ultraviolet spectroscopy and UV lasers

P Misra, MA Dubinskii - 2002 - books.google.com
This volume presents a complete and thorough examination of advances in the
instrumentation, evaluation, and implementation of UV technology for reliable and efficient …

The unimolecular dissociation of HCO: I. Oscillations of pure CO stretching resonance widths

HJ Werner, C Bauer, P Rosmus, HM Keller… - The Journal of …, 1995 - pubs.aip.org
The unimolecular dissociation of the formyl radical HCO in the electronic ground state is
investigated using a completely new ab initio potential energy surface. The dynamics …

THE DYNAMICS OF “STRETCHED MOLECULES”: Experimental Studies of Highly Vibrationally Excited Molecules With Stimulated Emission Pumping

M Silva, R Jongma, RW Field… - Annual Review of …, 2001 - annualreviews.org
▪ Abstract We review stimulated emission pumping as used to study molecular dynamics.
The review presents unimolecular as well as scattering studies. Topics include …

Quantum dynamics of Renner–Teller vibronic coupling: the predissociation of HCO

EM Goldfield, SK Gray, LB Harding - The Journal of chemical physics, 1993 - pubs.aip.org
A Hamiltonian model and parity‐adapted wave packet representation are developed to
describe a rotating triatomic system with two Renner–Teller coupled potential surfaces, and …

Fluoroform (CHF3) Production from CF3CHO Photolysis and Implications for the Decomposition of Hydrofluoroolefins and Hydrochlorofluoroolefins in the …

JD Thomson, JS Campbell, EB Edwards… - Journal of the …, 2024 - ACS Publications
Hydrofluoroolefins (HFOs) and hydrochlorofluoroolefins (HCFOs) are the leading synthetic
replacements for compounds successively banned by the Montreal Protocol and …

Rotational Modulation of 2A″-State Photodissociation of HCO via Renner–Teller Nonadiabatic Transitions

S Han, G Sun, X Zheng, Y Song, R Dawes… - The Journal of …, 2021 - ACS Publications
By examining the product-state distribution of a prototypical nonadiabatic predissociation
system, HCO (Ã 2 A ″–X̃ 2 A′), we demonstrate that the dissociation dynamics is strongly …

[HTML][HTML] A new set of potential energy surfaces for HCO: Influence of Renner-Teller coupling on the bound and resonance vibrational states

SA Ndengué, R Dawes, H Guo - The Journal of Chemical Physics, 2016 - pubs.aip.org
It is commonly understood that the Renner-Teller effect can strongly influence the
spectroscopy of molecules through coupling of electronic states. Here we investigate the …