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1.
A single resonance Regge pole dominates the forward-angle scattering of the state-to-state F + H2 â FH + H reaction at Etrans = 62.09 meV.
Phys Chem Chem Phys
; 26(4): 3647-3666, 2024 Jan 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-38224460
2.
Benchmark Quantum Kinetics at Low Temperatures toward Absolute Zero and Role of Entrance Channel Wells on Tunneling, Virtual States, and Resonances: The F + HD Reaction.
J Phys Chem A
; 124(1): 12-20, 2020 Jan 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-31829589
3.
Benchmark Quantum Mechanical Calculations of Vibrationally Resolved Cross Sections and Rate Constants on ab Initio Potential Energy Surfaces for the F + HD Reaction: Comparisons with Experiments.
J Phys Chem A
; 120(27): 5288-99, 2016 Jul 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-27186680
4.
Complementarity between Quantum and Classical Mechanics in Chemical Modeling. The H + HeH+ â H2 + + He Reaction: A Rigourous Test for Reaction Dynamics Methods.
J Phys Chem A
; 119(51): 12615-26, 2015 Dec 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-26583384
5.
The H + HeH(+) â He + H2(+) reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants.
Phys Chem Chem Phys
; 16(23): 11662-72, 2014 Jun 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-24810283
6.
Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD.
J Chem Phys
; 138(24): 244302, 2013 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-23822239
7.
Investigation on the Mechanical Recycling of Carbon Fiber-Reinforced Polymers by Peripheral Down-Milling.
Polymers (Basel)
; 15(4)2023 Feb 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-36850138
8.
The He + H2+ â HeH+ + H reaction: ab initio studies of the potential energy surface, benchmark time-independent quantum dynamics in an extended energy range and comparison with experiments.
J Chem Phys
; 137(24): 244306, 2012 Dec 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-23277935
9.
Exploring the accuracy level of new potential energy surfaces for the F + HD reactions: from exact quantum rate constants to the state-to-state reaction dynamics.
Phys Chem Chem Phys
; 13(18): 8571-82, 2011 May 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-21468432
10.
Quantum Dynamics and Kinetics of the F + H2 and F + D2 Reactions at Low and Ultra-Low Temperatures.
Front Chem
; 7: 328, 2019.
Artículo
en Inglés
| MEDLINE | ID: mdl-31157204
11.
Non-adiabatic Quantum Dynamics of the Dissociative Charge Transfer He++H2 â He+H+H.
Front Chem
; 7: 249, 2019.
Artículo
en Inglés
| MEDLINE | ID: mdl-31041310
12.
Exact state-to-state quantum dynamics of the F + HD --> HF(v' = 2) + D reaction on model potential energy surfaces.
J Chem Phys
; 129(6): 064303, 2008 Aug 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-18715065
13.
Exact quantum calculations of the kinetic isotope effect: cross sections and rate constants for the F+HD reaction and role of tunneling.
J Chem Phys
; 125(13): 133109, 2006 Oct 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-17029435
14.
Direct evaluation of the lifetime matrix by the hyperquantization algorithm: narrow resonances in the F + H2 reaction dynamics and their splitting for nonzero angular momentum.
J Chem Phys
; 123(5): 054314, 2005 Aug 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-16108646
15.
Lifetime of reactive scattering resonances: Q-matrix analysis and angular momentum dependence for the F+H2 reaction by the hyperquantization algorithm.
J Chem Phys
; 121(23): 11675-90, 2004 Dec 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-15634134
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