Charged particle and photon interactions with matter: recent advances, applications, and interfaces
Y Hatano, Y Katsumura, A Mozumder - 2010 - books.google.com
Covering state-of-the-art advances, novel applications, and future perspectives, this volume
presents new directions on the basic studies of charged particle and photon interactions with …
presents new directions on the basic studies of charged particle and photon interactions with …
[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 …
are all written by internationally recognised researchers and, from the outset, the …
The Temperature and Pressure Dependence of the Reactions H + O2 (+M) → HO2 (+M) and H + OH (+M) → H2O (+M)
SR Sellevåg, Y Georgievskii… - The Journal of Physical …, 2008 - ACS Publications
The reactions H+ O2 (+ M)→ HO2 (+ M) and H+ OH (+ M)→ H2O (+ M) have been studied
using high-level quantum chemistry methods. On the basis of potential energy …
using high-level quantum chemistry methods. On the basis of potential energy …
Improvement of H2/O2 chemical kinetic mechanism for high pressure combustion
Y Zhang, J Fu, M Xie, J Liu - International Journal of Hydrogen Energy, 2021 - Elsevier
An updated H 2/O 2 kinetic mechanism was proposed by incorporating carefully selected
reaction rate coefficient and great progress in radical chain mechanisms, in which the …
reaction rate coefficient and great progress in radical chain mechanisms, in which the …
Theoretical studies of the reaction. II. Classical trajectory calculations on an ab initio potential for temperatures between 300 and 5000 K
J Troe, VG Ushakov - The Journal of Chemical Physics, 2001 - pubs.aip.org
A comparably simple new analytical expression of the potential energy surface for the HO+
O⇔ HO 2⇔ H+ O 2 reaction system is designed on the basis of previous high precision ab …
O⇔ HO 2⇔ H+ O 2 reaction system is designed on the basis of previous high precision ab …
Comparison of multireference configuration interaction potential energy surfaces for H + O2 → HO2: the effect of internal contraction
A comparison is presented of uncontracted multireference singles and doubles configuration
interaction (MRCI) and internally contracted MRCI potential energy surfaces for the reaction …
interaction (MRCI) and internally contracted MRCI potential energy surfaces for the reaction …
Quantum Mechanical Rate Constants for H + O2 ↔ O + OH and H + O2 → HO2 Reactions
SY Lin, EJ Rackham, H Guo - The Journal of Physical Chemistry …, 2006 - ACS Publications
Canonical rate constants for both the forward and reverse H+ O2↔ O+ OH reactions were
calculated using a quantum wave packet-based statistical model on the DMBE IV potential …
calculated using a quantum wave packet-based statistical model on the DMBE IV potential …
Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. 6. Computational Kinetics of Reactions between Hydrogen Atom and Oxygen Molecule H + O2 ⇌ HO + O …
CH Wang, AE Masunov, TC Allison… - The journal of …, 2019 - ACS Publications
Reactions of the hydrogen atom and the oxygen molecule are among the most important
ones in the hydrogen and hydrocarbon oxidation mechanisms, including combustion in a …
ones in the hydrogen and hydrocarbon oxidation mechanisms, including combustion in a …
Pressure dependence of the reaction H+ O 2 (+ Ar)→ HO 2 (+ Ar) in the range 1–900 bar and 300–700 K
J Hahn, L Krasnoperov, K Luther, J Troe - … Chemistry Chemical Physics, 2004 - pubs.rsc.org
The reaction H+ O2 (+ Ar)→ HO2 (+ Ar) was studied in a high pressure flow cell in the bath
gas argon at pressures between 1 and 900 bar and temperatures between 300 and 700 K …
gas argon at pressures between 1 and 900 bar and temperatures between 300 and 700 K …
Time dependent wave packet and statistical calculations on the H+ O 2 reaction
P Bargueño, T González-Lezana… - Physical Chemistry …, 2007 - pubs.rsc.org
The H+ O2→ OH+ O reaction has been theoretically investigated by means of an exact time
dependent wave packet method and two statistical approaches: a recently developed …
dependent wave packet method and two statistical approaches: a recently developed …