Detalhe da pesquisa
1.
Efficient D-π-π-A-Type Dye Sensitizer Based on a Benzothiadiazole Moiety: A Computational Study.
Molecules
; 28(13)2023 Jul 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37446847
2.
Site-Selective Real-Time Observation of Bimolecular Electron Transfer in a Photocatalytic System Using L-Edge X-Ray Absorption Spectroscopy*.
Chemphyschem
; 22(7): 693-700, 2021 04 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33410580
3.
Strong Exciton-Vibrational Coupling in Molecular Assemblies. Dynamics Using the Polaron Transformation in HEOM Space.
J Phys Chem A
; 125(32): 7052-7065, 2021 Aug 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-34353023
4.
Intraband dynamics and exciton trapping in the LH2 complex of Rhodopseudomonas acidophila.
J Chem Phys
; 154(4): 045102, 2021 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33514092
5.
Ground- and Excited-State Properties of Iron(II) Complexes Linked to Organic Chromophores.
Inorg Chem
; 59(20): 14746-14761, 2020 Oct 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-32935979
6.
Molecular level picture of the interplay between pH and phosphate binding at the goethite-water interface.
Phys Chem Chem Phys
; 22(45): 26509-26524, 2020 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33185198
7.
The effect of N-heterocyclic carbene units on the absorption spectra of Fe(II) complexes: a challenge for theory.
Phys Chem Chem Phys
; 22(47): 27605-27616, 2020 Dec 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33245303
8.
Exciton transfer using rates extracted from the "hierarchical equations of motion".
J Chem Phys
; 153(19): 194112, 2020 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33218227
9.
Ab Initio Molecular Dynamics Simulations of the Interaction between Organic Phosphates and Goethite.
Molecules
; 26(1)2020 Dec 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-33396506
10.
Infrared Laser Excitation Controlled Reaction Acceleration in the Electronic Ground State.
J Am Chem Soc
; 141(30): 11730-11738, 2019 Jul 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-31251876
11.
QM/MM simulations of organic phosphorus adsorption at the diaspore-water interface.
Phys Chem Chem Phys
; 21(44): 24316-24325, 2019 Nov 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31528959
12.
Infrared spectroscopic characterization of phosphate binding at the goethite-water interface.
Phys Chem Chem Phys
; 21(8): 4421-4434, 2019 Feb 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-30729971
13.
On computing spectral densities from classical, semiclassical, and quantum simulations.
J Chem Phys
; 150(8): 084109, 2019 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30823768
14.
Influence of metal ions on glyphosate detection by FMOC-Cl.
Environ Monit Assess
; 191(4): 244, 2019 Mar 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-30915586
15.
Erratum: Ultrafast Spin-State Dynamics in Transition-Metal Complexes Triggered by Soft-X-Ray Light [Phys. Rev. Lett. 118, 023001 (2017)].
Phys Rev Lett
; 120(26): 269901, 2018 06 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-30004749
16.
Unravelling the nature of glyphosate binding to goethite surfaces by ab initio molecular dynamics simulations.
Phys Chem Chem Phys
; 20(3): 1531-1539, 2018 Jan 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-29260152
17.
Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I3- in solution.
Phys Chem Chem Phys
; 20(30): 19916-19921, 2018 Aug 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30020286
18.
Using fluorescence detected two-dimensional spectroscopy to investigate initial exciton delocalization between coupled chromophores.
J Chem Phys
; 149(11): 114107, 2018 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30243281
19.
Simulating vibronic spectra via Matsubara-like dynamics: Coping with the sign problem.
J Chem Phys
; 149(19): 194103, 2018 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30466277
20.
Quasi-classical approaches to vibronic spectra revisited.
J Chem Phys
; 148(10): 102337, 2018 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29544262