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 …
potential wells. The characteristics of such complex-forming reactions differ drastically from …
Oxygen depletion in dense molecular clouds: a clue to a low O2 abundance?
Context. Dark cloud chemical models usually predict large amounts of O 2, often above
observational limits. Aims. We investigate the reason for this discrepancy from a theoretical …
observational limits. Aims. We investigate the reason for this discrepancy from a theoretical …
Reaction dynamics of C(3P) + Si2(X ) → Si(3P) + SiC(X 3Π) on a global CHIPR potential energy surface of the ground state Si2C(X 1A1)
X Li, Z Qin, G Chen, L Liu - Monthly Notices of the Royal …, 2023 - academic.oup.com
The dynamics of C (3P)+ Si2 (X)→ Si (3P)+ SiC (X 3Π) on its ground state Si2C (X 1A1) are
of great significance in carbon-rich interstellar chemistry. Using the combined-hyperbolic …
of great significance in carbon-rich interstellar chemistry. Using the combined-hyperbolic …
Probing the dynamics of polyatomic multichannel elementary reactions by crossed molecular beam experiments with soft electron-ionization mass spectrometric …
P Casavecchia, F Leonori, N Balucani… - Physical Chemistry …, 2009 - pubs.rsc.org
In this Perspective we highlight developments in the field of chemical reaction dynamics.
Focus is on the advances recently made in the investigation of the dynamics of elementary …
Focus is on the advances recently made in the investigation of the dynamics of elementary …
Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O2 ↔ HO + O Reaction
J Wang, F An, J Chen, X Hu, H Guo… - Journal of chemical …, 2023 - ACS Publications
A new and more accurate diabatic potential energy matrix (DPEM) is developed for the two
lowest-lying electronic states of HO2, covering both the strong interaction region and …
lowest-lying electronic states of HO2, covering both the strong interaction region and …
Deep observations of O2 toward a low-mass protostar with Herschel-HIFI
UA Yıldız, K Acharyya, PF Goldsmith… - Astronomy & …, 2013 - aanda.org
Context. According to traditional gas-phase chemical models, O 2 should be abundant in
molecular clouds, but until recently, attempts to detect interstellar O 2 line emission with …
molecular clouds, but until recently, attempts to detect interstellar O 2 line emission with …
A neural network potential energy surface and quantum dynamics studies for the Ca+(2 S)+ H 2→ CaH++ H reaction
Z Yang, H Chen, Y Mao, M Chen - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
Reactive collisions of Ca+ ions with H2 molecules play a crucial role in ultracold chemistry,
quantum information and other cutting-edge fields, and have been widely studied …
quantum information and other cutting-edge fields, and have been widely studied …
[HTML][HTML] O+ OH→ O2+ H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment
F. Lique, M. Jorfi, P. Honvault, P. Halvick, SY Lin, H. Guo, DQ Xie, PJ Dagdigian, J. Kłos, MH
Alexander; O+ OH→ O 2+ H: A key reaction for interstellar chemistry. New theoretical …
Alexander; O+ OH→ O 2+ H: A key reaction for interstellar chemistry. New theoretical …
Higher-order split operator schemes for solving the Schrödinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering …
The efficiency of the numerical propagators for solving the time-dependent Schrödinger
equation in the wave packet approach to reactive scattering is of vital importance. In this …
equation in the wave packet approach to reactive scattering is of vital importance. In this …
Accurate combined-hyperbolic-inverse-power-representation of ab initio potential energy surface for the hydroperoxyl radical and dynamics study of O+OH …
AJC Varandas - The Journal of Chemical Physics, 2013 - pubs.aip.org
Accurate combined-hyperbolic-inverse-power-representation of ab initio potential energy
surface for the hydroperoxyl radical and dynamics study of |$\bf O+OH$|O+OH reaction | The …
surface for the hydroperoxyl radical and dynamics study of |$\bf O+OH$|O+OH reaction | The …