Detalles de la búsqueda
1.
Theoretical dynamics studies of the CH3 + HBr â CH4 + Br reaction: effects of isotope substitution and vibrational excitation of CH3.
Phys Chem Chem Phys
; 26(14): 10530-10537, 2024 Apr 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-38512242
2.
Experimental and Theoretical Study of the Kinetics of the CH3 + HBr â CH4 + Br Reaction and the Temperature Dependence of the Activation Energy of CH4 + Br â CH3 + HBr.
J Phys Chem A
; 127(33): 6916-6923, 2023 Aug 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37561546
3.
Temperature and Pressure Dependence of the Reaction between Ethyl Radical and Molecular Oxygen: Experiments and Master Equation Simulations.
J Phys Chem A
; 127(5): 1302-1313, 2023 Feb 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-36696672
4.
An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature.
Faraday Discuss
; 238(0): 619-644, 2022 Oct 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35791840
5.
Theoretical dynamics studies of the CH3 + HBr â CH4 + Br reaction: integral cross sections, rate constants and microscopic mechanism.
Phys Chem Chem Phys
; 24(17): 10548-10560, 2022 May 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-35445671
6.
An experimental and computational study of the reaction between 2-methylallyl radicals and oxygen molecules: optimizing master equation parameters with trace fitting.
Phys Chem Chem Phys
; 24(8): 4729-4742, 2022 Feb 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-35142299
7.
The Role of Zero-Point Vibration and Reactant Attraction in Exothermic Bimolecular Reactions with Submerged Potential Barriers: Theoretical Studies of the R + HBr â RH + Br (R = CH3, HO) Systems.
J Phys Chem A
; 125(38): 8386-8396, 2021 Sep 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-34543008
8.
Solid-Phase "Self-Hydrolysis" of [Zn(NH3)4MoO4@2H2O] Involving Enclathrated Water-An Easy Route to a Layered Basic Ammonium Zinc Molybdate Coordination Polymer.
Molecules
; 26(13)2021 Jun 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-34209392
9.
Mechanism Change in the Dynamics of the O' + O2 â O'O + O Atom Exchange Reaction at High Collision Energies.
J Phys Chem A
; 123(47): 10230-10239, 2019 Nov 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-31647868
10.
Kinetics of the Methyl-Vinyl Radical + O2 Reactions Associated with Propene Oxidation.
J Phys Chem A
; 123(5): 999-1006, 2019 Feb 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-30608168
11.
Unexpected Sequential NH3/H2O Solid/Gas Phase Ligand Exchange and Quasi-Intramolecular Self-Protonation Yield [NH4Cu(OH)MoO4], a Photocatalyst Misidentified before as (NH4)2Cu(MoO4)2.
Inorg Chem
; 57(21): 13679-13692, 2018 Nov 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-30351069
12.
Substituent effect on the dynamics of the inclusion complex formation between protoberberine alkaloids and cucurbit[7]uril.
Phys Chem Chem Phys
; 20(23): 15986-15994, 2018 Jun 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-29850718
13.
A general formulation of the quasiclassical trajectory method for reduced-dimensionality reaction dynamics calculations.
Phys Chem Chem Phys
; 20(19): 13224-13240, 2018 May 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-29722776
14.
Testing the Palma-Clary Reduced Dimensionality Model Using Classical Mechanics on the CH4 + H â CH3 + H2 Reaction.
J Phys Chem A
; 120(27): 5083-93, 2016 Jul 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-26918703
15.
Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculations.
J Chem Phys
; 144(1): 014104, 2016 Jan 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-26747798
16.
Dynamics of Complex-Forming Bimolecular Reactions: A Comparative Theoretical Study of the Reactions of H Atoms with O2((3)Σg(-)) and O2((1)Δg).
J Phys Chem A
; 119(50): 12485-97, 2015 Dec 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-26517427
17.
A Quasiclassical Trajectory Study of the Reaction of H Atoms with O2((1)Δg).
J Phys Chem A
; 119(28): 7180-9, 2015 Jul 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-25668015
18.
Thermal Decomposition of NCN: Shock-Tube Study, Quantum Chemical Calculations, and Master-Equation Modeling.
J Phys Chem A
; 119(28): 7838-46, 2015 Jul 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-25853321
19.
The non-statistical dynamics of the ¹8O + ³²O2 isotope exchange reaction at two energies.
J Chem Phys
; 141(6): 064311, 2014 Aug 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-25134575
20.
Substituent effect on the photoreduction kinetics of benzophenone.
J Phys Chem A
; 117(40): 10196-210, 2013 Oct 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-23980872