Detalhe da pesquisa
1.
Deconvolution of the X-ray absorption spectrum of trans-1,3-butadiene with resonant Auger spectroscopy.
Phys Chem Chem Phys
; 26(21): 15130-15142, 2024 May 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38525924
2.
Spin-Vibronic Control of Intersystem Crossing in Iodine-Substituted Heptamethine Cyanines.
J Org Chem
; 88(11): 6716-6728, 2023 Jun 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-37146036
3.
Jahn-Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene.
Phys Chem Chem Phys
; 25(9): 6733-6745, 2023 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36799466
4.
Resonant Inner-Shell Photofragmentation of Adamantane (C10H16).
Molecules
; 28(14)2023 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37513382
5.
Probing aqueous ions with non-local Auger relaxation.
Phys Chem Chem Phys
; 24(15): 8661-8671, 2022 Apr 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35356960
6.
Deciphering the Structure-Property Relations in Substituted Heptamethine Cyanines.
J Org Chem
; 85(15): 9776-9790, 2020 08 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32697591
7.
Solvation energies of ions with ensemble cluster-continuum approach.
Phys Chem Chem Phys
; 22(39): 22357-22368, 2020 Oct 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32996504
8.
Ionization energies in solution with the QM:QM approach.
Phys Chem Chem Phys
; 22(19): 10550-10560, 2020 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32010902
9.
Photoswitching of Azobenzene-Based Reverse Micelles above and at Subzero Temperatures As Studied by NMR and Molecular Dynamics Simulations.
Langmuir
; 33(9): 2306-2317, 2017 03 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28234488
10.
Nature of CTAB/Water/Chloroform Reverse Micelles at Above- and Subzero Temperatures Studied by NMR and Molecular Dynamics Simulations.
Langmuir
; 31(30): 8284-93, 2015 Aug 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-26197232
11.
Oxygen Radicals Entrapped between MgO Nanocrystals: Formation, Spectroscopic Fingerprints, and Reactivity toward Water.
J Phys Chem C Nanomater Interfaces
; 127(48): 23332-23339, 2023 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38090143
12.
Observation of intermolecular Coulombic decay and shake-up satellites in liquid ammonia.
Struct Dyn
; 9(4): 044901, 2022 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-35982825
13.
The ice-vapor interface and the melting point of ice I(h) for the polarizable POL3 water model.
J Phys Chem A
; 115(23): 5973-82, 2011 Jun 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-21452834
14.
Beyond Koopmans' theorem: electron binding energies in disordered materials.
J Phys Condens Matter
; 31(4): 043001, 2019 Jan 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-30524069
15.
Do water's electrons care about electrolytes?
Chem Sci
; 10(3): 848-865, 2019 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30774880
16.
Optimal Tuning of Range-Separated Hybrids for Solvated Molecules with Time-Dependent Density Functional Theory.
J Chem Theory Comput
; 13(10): 4972-4983, 2017 Oct 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-28873301
17.
Observation of electron-transfer-mediated decay in aqueous solution.
Nat Chem
; 9(7): 708-714, 2017 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28644468
18.
Modeling Liquid Photoemission Spectra: Path-Integral Molecular Dynamics Combined with Tuned Range-Separated Hybrid Functionals.
J Chem Theory Comput
; 12(10): 5009-5017, 2016 Oct 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-27654577
19.
Glycine in an electronically excited state: ab initio electronic structure and dynamical calculations.
J Phys Chem A
; 111(24): 5259-69, 2007 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-17530834
20.
Theoretical study of photoacidity of HCN: the effect of complexation with water.
Phys Chem Chem Phys
; 8(42): 4866-73, 2006 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-17066176