Detalhe da pesquisa
1.
Molecular Dynamics Simulation of Thermal Nonequilibrium and Chemical Reaction Processes in Hydrogen Combustion.
J Phys Chem A
; 128(13): 2643-2655, 2024 Apr 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-38530707
2.
Theoretical Study of the Temperature- and Pressure-Dependent Rate Constants for Nine Reactions between COn (n = 0-4), Om (m = 1-3), C2O, and C3O2 during the Radiolysis of Carbon Dioxide.
J Phys Chem A
; 128(19): 3890-3899, 2024 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38691833
3.
A Method Probing High-Temperature Oxidation Behavior of Crystalline Materials.
Small
; : e2308718, 2023 Dec 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38078781
4.
Full-dimensional quantum mechanical calculations for the tunneling behavior of HOCO dissociation to H + CO2.
Phys Chem Chem Phys
; 24(25): 15321-15329, 2022 Jun 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-35703166
5.
Microwave Hotspots: Thermal Nonequilibrium Dynamics from the Perspective of Quantum States.
J Phys Chem A
; 125(12): 2690-2696, 2021 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33734701
6.
Calculation of Transport Parameters Using ab initio and AMOEBA Polarizable Force Field Methods.
J Phys Chem A
; 125(22): 4918-4927, 2021 Jun 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34038116
7.
Bamboo Tar as a Novel Fungicide: Its Chemical Components, Laboratory Evaluation, and Field Efficacy Against False Smut and Sheath Blight of Rice and Powdery Mildew and Fusarium Wilt of Cucumber.
Plant Dis
; 105(2): 331-338, 2021 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-32772833
8.
Absorption Spectra of Acetylene, Vinylidene, and Their Deuterated Isotopologues on Ab Initio Potential Energy and Dipole Moment Surfaces.
J Phys Chem A
; 123(19): 4232-4240, 2019 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-31010288
9.
Quantum dynamical investigation of product state distributions of the F + CH3OH â HF + CH3O reaction via photodetachment of the F-(HOCH3) anion.
J Chem Phys
; 150(4): 044301, 2019 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30709270
10.
Full-dimensional quantum mechanics calculations for the spectroscopic characterization of the isomerization transition states of HOCO/DOCO systems.
Phys Chem Chem Phys
; 20(7): 4732-4738, 2018 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29379927
11.
Classical Trajectory Study of Collision Energy Transfer between Ne and C2H2 on a Full Dimensional Accurate Potential Energy Surface.
J Phys Chem A
; 122(6): 1521-1530, 2018 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29360364
12.
Activation of Reactions in the Complex Region Using Microwave Irradiation.
J Phys Chem A
; 122(38): 7540-7547, 2018 Sep 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-30160492
13.
Nonadiabatic Tunneling in Photodissociation of Phenol.
J Am Chem Soc
; 138(25): 7828-31, 2016 06 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-27280865
14.
Non-Adiabatic Effects on Excited States of Vinylidene Observed with Slow Photoelectron Velocity-Map Imaging.
J Am Chem Soc
; 138(50): 16417-16425, 2016 12 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-27936652
15.
Master Equation Analysis of Thermal and Nonthermal Microwave Effects.
J Phys Chem A
; 120(41): 7989-7997, 2016 Oct 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-27689443
16.
State-Resolved Quantum Dynamics of Photodetachment of HCO2(-)/DCO2(-) on an Accurate Global Potential Energy Surface.
J Phys Chem A
; 119(28): 7316-24, 2015 Jul 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-25607218
17.
Quantum Dynamics of Vinylidene Photodetachment on an Accurate Global Acetylene-Vinylidene Potential Energy Surface.
J Phys Chem A
; 119(31): 8488-96, 2015 Aug 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-26107090
18.
From ab initio potential energy surfaces to state-resolved reactivities: X + H2O â HX + OH [X = F, Cl, and O((3)P)] reactions.
J Phys Chem A
; 119(20): 4667-87, 2015 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25886142
19.
Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band.
J Chem Phys
; 142(9): 091101, 2015 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25747050
20.
Full-dimensional quantum dynamics of vibrationally mediated photodissociation of NH3 and ND3 on coupled ab initio potential energy surfaces: absorption spectra and NH2(Ã(2)A1)/NH2(XÌ(2)B1) branching ratios.
J Phys Chem A
; 118(51): 11926-34, 2014 Dec 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-25036988