Detalhe da pesquisa
1.
Direct measurement of single-molecule dynamics and reaction kinetics in confinement using time-resolved transmission electron microscopy.
Phys Chem Chem Phys
; 25(13): 9092-9103, 2023 Mar 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-36920796
2.
Quantum Chemical Characterization and Design of Quantum Dots for Sensing Applications.
J Phys Chem A
; 126(19): 2899-2908, 2022 May 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-35502789
3.
Density Functional Theory Based Methods for the Calculation of X-ray Spectroscopy.
Acc Chem Res
; 53(7): 1306-1315, 2020 07 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32613827
4.
Improving the predictive quality of time-dependent density functional theory calculations of the X-ray emission spectroscopy of organic molecules.
J Comput Chem
; 41(11): 1081-1090, 2020 Apr 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-31965597
5.
Probing the electronic structure of ether functionalised ionic liquids using X-ray photoelectron spectroscopy.
Phys Chem Chem Phys
; 22(3): 1624-1631, 2020 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31894776
6.
Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.
Phys Chem Chem Phys
; 22(8): 4429-4438, 2020 Feb 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-32051990
7.
Monitoring the Formation and Reactivity of Organometallic Alkane and Fluoroalkane Complexes with Silanes and Xe Using Time-Resolved X-ray Absorption Fine Structure Spectroscopy.
J Am Chem Soc
; 141(29): 11471-11480, 2019 Jul 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-31306004
8.
Dimers of acetic acid in helium nanodroplets.
Phys Chem Chem Phys
; 21(26): 13950-13958, 2019 Jul 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-30394472
9.
Zinc 1s Valence-to-Core X-ray Emission Spectroscopy of Halozincate Complexes.
J Phys Chem A
; 123(44): 9552-9559, 2019 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31609617
10.
Infrared spectroscopy of a small ion solvated by helium: OH stretching region of HeN-HOCO.
J Chem Phys
; 151(19): 194307, 2019 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31757136
11.
A scaled CIS(D) based method for the calculation of valence and core electron ionization energies.
J Chem Phys
; 151(3): 034104, 2019 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31325914
12.
X-ray and Electron Spectroscopy of Water.
Chem Rev
; 116(13): 7551-69, 2016 07 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-27244473
13.
Quantum chemical study of the structure, spectroscopy and reactivity of NO+.(H2O) n=1-5 clusters.
Philos Trans A Math Phys Eng Sci
; 376(2115)2018 Mar 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-29431680
14.
Simulation of the Raman spectroscopy of multi-layered carbon nanomaterials.
Phys Chem Chem Phys
; 20(44): 28001-28010, 2018 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30382261
15.
Reactivity of the O2+·(H2O)n and NO+·(H2O)n cluster ions in the D-region of the ionosphere.
Phys Chem Chem Phys
; 20(40): 25931-25938, 2018 Oct 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-30294744
16.
Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water.
J Chem Phys
; 148(14): 144507, 2018 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29655333
17.
Substrate-induced shifts and screening in the fluorescence spectra of supramolecular adsorbed organic monolayers.
J Chem Phys
; 149(5): 054701, 2018 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30089387
18.
Auger electron angular distributions following excitation or ionization of the I 3d level in methyl iodide.
J Chem Phys
; 149(9): 094304, 2018 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30195315
19.
Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide.
J Chem Phys
; 149(14): 144302, 2018 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30316287
20.
Photoaquation Mechanism of Hexacyanoferrate(II) Ions: Ultrafast 2D UV and Transient Visible and IR Spectroscopies.
J Am Chem Soc
; 139(21): 7335-7347, 2017 05 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-28485597