Detalhe da pesquisa
1.
Isomer-resolved unimolecular dynamics of the hydroperoxyalkyl intermediate (â¢QOOH) in cyclohexane oxidation.
Proc Natl Acad Sci U S A
; 121(16): e2401148121, 2024 Apr 16.
Artigo
Inglês
| MEDLINE | ID: mdl-38602914
2.
Initiation and Carbene Induced Radical Chain Reactions in CH2F2 Pyrolysis.
Chemphyschem
; : e202400362, 2024 May 07.
Artigo
Inglês
| MEDLINE | ID: mdl-38714496
3.
Phenalenyl growth reactions and implications for prenucleation chemistry of aromatics in flames.
Phys Chem Chem Phys
; 26(17): 13034-13048, 2024 May 01.
Artigo
Inglês
| MEDLINE | ID: mdl-38587503
4.
Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data.
J Phys Chem A
; 128(17): 3449-3457, 2024 May 02.
Artigo
Inglês
| MEDLINE | ID: mdl-38642065
5.
Radical-Radical Reactions in Molecular Weight Growth: The Phenyl + Propargyl Reaction.
J Phys Chem A
; 127(11): 2577-2590, 2023 Mar 23.
Artigo
Inglês
| MEDLINE | ID: mdl-36905386
6.
Predicting third-body collision efficiencies for water and other polyatomic baths.
Faraday Discuss
; 238(0): 68-86, 2022 Oct 21.
Artigo
Inglês
| MEDLINE | ID: mdl-35770694
7.
Identification of the acetaldehyde oxide Criegee intermediate reaction network in the ozone-assisted low-temperature oxidation of trans-2-butene.
Phys Chem Chem Phys
; 23(41): 23554-23566, 2021 Oct 27.
Artigo
Inglês
| MEDLINE | ID: mdl-34651147
8.
On the Rate Constant for NH2+HO2 and Third-Body Collision Efficiencies for NH2+H(+M) and NH2+NH2(+M).
J Phys Chem A
; 125(7): 1505-1516, 2021 Feb 25.
Artigo
Inglês
| MEDLINE | ID: mdl-33560846
9.
An experimental and theoretical study of the high temperature reactions of the four butyl radical isomers.
Phys Chem Chem Phys
; 22(33): 18304-18319, 2020 Sep 07.
Artigo
Inglês
| MEDLINE | ID: mdl-32785311
10.
Microcanonical Rate Constants for Unimolecular Reactions in the Low-Pressure Limit.
J Phys Chem A
; 124(7): 1205-1226, 2020 Feb 20.
Artigo
Inglês
| MEDLINE | ID: mdl-31944118
11.
Extreme Low-Temperature Combustion Chemistry: Ozone-Initiated Oxidation of Methyl Hexanoate.
J Phys Chem A
; 124(48): 9897-9914, 2020 Dec 03.
Artigo
Inglês
| MEDLINE | ID: mdl-33174431
12.
Identification of the Criegee intermediate reaction network in ethylene ozonolysis: impact on energy conversion strategies and atmospheric chemistry.
Phys Chem Chem Phys
; 21(14): 7341-7357, 2019 Apr 03.
Artigo
Inglês
| MEDLINE | ID: mdl-30896721
13.
Parameterization Strategies for Intermolecular Potentials for Predicting Trajectory-Based Collision Parameters.
J Phys Chem A
; 123(16): 3464-3480, 2019 Apr 25.
Artigo
Inglês
| MEDLINE | ID: mdl-30950615
14.
Isomer-Selective Detection of Keto-Hydroperoxides in the Low-Temperature Oxidation of Tetrahydrofuran.
J Phys Chem A
; 123(38): 8274-8284, 2019 Sep 26.
Artigo
Inglês
| MEDLINE | ID: mdl-31483667
15.
Anharmonic Rovibrational Partition Functions at High Temperatures: Tests of Reduced-Dimensional Models for Systems with up to Three Fluxional Modes.
J Phys Chem A
; 123(29): 6210-6228, 2019 Jul 25.
Artigo
Inglês
| MEDLINE | ID: mdl-31246459
16.
Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N3H5 and N4H6 Potential Energy Surfaces.
J Phys Chem A
; 123(22): 4679-4692, 2019 Jun 06.
Artigo
Inglês
| MEDLINE | ID: mdl-31046265
17.
Nonthermal rate constants for CH4 * + X â CH3 + HX, X = H, O, OH, and O2.
J Chem Phys
; 150(11): 114112, 2019 Mar 21.
Artigo
Inglês
| MEDLINE | ID: mdl-30902010
18.
Low-Temperature Oxidation of Ethylene by Ozone in a Jet-Stirred Reactor.
J Phys Chem A
; 122(43): 8674-8685, 2018 Nov 01.
Artigo
Inglês
| MEDLINE | ID: mdl-30293425
19.
Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals.
J Phys Chem A
; 122(6): 1727-1740, 2018 Feb 15.
Artigo
Inglês
| MEDLINE | ID: mdl-29356534
20.
Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation.
J Chem Phys
; 148(17): 174306, 2018 May 07.
Artigo
Inglês
| MEDLINE | ID: mdl-29739207