Detalhe da pesquisa
1.
Mapping the emergence of molecular vibrations mediating bond formation.
Nature
; 582(7813): 520-524, 2020 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-32581378
2.
Phosphorus-Ligand Redox Cooperative Catalysis: Unraveling Four-Electron Dioxygen Reduction Pathways and Reactive Intermediates.
J Am Chem Soc
; 2024 Apr 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-38597246
3.
Photochemical Reaction Mechanism of Intramolecular H Transfer Reaction of H2 C3 O+ â Radical Cation.
Chemphyschem
; 24(13): e202300048, 2023 Jul 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37040088
4.
Ultrafast photoisomerization mechanism of azaborine revealed by nonadiabatic molecular dynamics simulations.
Phys Chem Chem Phys
; 25(26): 17230-17237, 2023 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37338915
5.
Do Planar Tetracoordinate Fluorine Atoms Exist? Revisiting a Theoretical Prediction.
J Phys Chem A
; 127(28): 5815-5822, 2023 Jul 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-37432658
6.
High level ab initio and density functional study of TeF6+ and TeCl6+: Attainability of +7 oxidation state for tellurium.
J Chem Phys
; 158(15)2023 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37094019
7.
Increasing Chemical Diversity of B2 N2 Anthracene Derivatives by Introducing Continuous Multiple Boron-Nitrogen Units.
Angew Chem Int Ed Engl
; 62(50): e202314148, 2023 Dec 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37874975
8.
Author Correction: Mapping the emergence of molecular vibrations mediating bond formation.
Nature
; 599(7883): E1, 2021 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-34650239
9.
Optical Kerr Effect of Liquid Acetonitrile Probed by Femtosecond Time-Resolved X-ray Liquidography.
J Am Chem Soc
; 143(35): 14261-14273, 2021 Sep 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-34455778
10.
Direct observation of bond formation in solution with femtosecond X-ray scattering.
Nature
; 518(7539): 385-9, 2015 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-25693570
11.
Theoretical Investigation of Excited-State Intramolecular Proton Transfer and Photoisomerization of 2-(Iminomethyl)phenol.
J Phys Chem A
; 123(33): 7246-7254, 2019 Aug 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31370390
12.
Electronic and Structural Dynamics of Dicyanoaurate Trimer in Excited State.
J Phys Chem A
; 123(32): 6904-6910, 2019 Aug 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31306027
13.
Fate of transient isomer of CH2I2: Mechanism and origin of ionic photoproducts formation unveiled by time-resolved x-ray liquidography.
J Chem Phys
; 150(22): 224201, 2019 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31202228
14.
Benchmark Study of Density Functional Theory for Neutral Gold Clusters, Aun (n = 2-8).
J Phys Chem A
; 121(12): 2410-2419, 2017 Mar 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-28291343
15.
Mechanistic Investigation of Thermal and Photoreactions between Boron and Silane.
J Phys Chem A
; 121(35): 6531-6537, 2017 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28806868
16.
Spin-Orbit Effect on the Molecular Properties of TeXn (X = F, Cl, Br, and I; n = 1, 2, and 4): A Density Functional Theory and Ab Initio Study.
J Phys Chem A
; 120(38): 7496-502, 2016 Sep 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-27603526
17.
Ab Initio Investigation of the Ground States of F2P(S)N, F2PNS, and F2PSN.
J Phys Chem A
; 120(46): 9198-9202, 2016 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-27809530
18.
Performance of Density Functional Theory and Relativistic Effective Core Potential for Ru-Based Organometallic Complexes.
J Phys Chem A
; 120(13): 2128-34, 2016 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26986051
19.
Theoretical Investigation of the Reaction Mechanism of the Photoisomerization of 1,2-Dihydro-1,2-azaborine.
Chemphyschem
; 16(8): 1670-5, 2015 Jun 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-25827638
20.
Solvent-dependent structure of molecular iodine probed by picosecond X-ray solution scattering.
Phys Chem Chem Phys
; 17(14): 8633-7, 2015 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25760386