Detalhe da pesquisa
1.
Opportunities and challenges of applying advanced X-ray spectroscopy to actinide and lanthanide N-donor ligand systems.
J Synchrotron Radiat
; 29(Pt 1): 53-66, 2022 Jan 01.
Artigo
Inglês
| MEDLINE | ID: mdl-34985423
2.
A Combined Study of Tc Redox Speciation in Complex Aqueous Systems: Wet-Chemistry, Tc K-/L3-Edge X-ray Absorption Fine Structure, and Ab Initio Calculations.
Inorg Chem
; 60(16): 12285-12298, 2021 Aug 16.
Artigo
Inglês
| MEDLINE | ID: mdl-34328309
3.
Tris-{hydridotris(1-pyrazolyl)borato}actinide Complexes: Synthesis, Spectroscopy, Crystal Structure, Bonding Properties and Magnetic Behaviour.
Chemistry
; 26(49): 11293-11306, 2020 Sep 01.
Artigo
Inglês
| MEDLINE | ID: mdl-32519790
4.
Trivalent Actinide Ions Showing Tenfold Coordination in Solution.
Inorg Chem
; 59(17): 12410-12421, 2020 Sep 08.
Artigo
Inglês
| MEDLINE | ID: mdl-32794734
5.
Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.
Phys Chem Chem Phys
; 18(11): 7728-36, 2016 Mar 21.
Artigo
Inglês
| MEDLINE | ID: mdl-26907588
6.
Influence of hydrogen bonding on the structure of the (001) corundum-water interface. Density functional theory calculations and Monte Carlo simulations.
Langmuir
; 30(10): 2722-8, 2014 Mar 18.
Artigo
Inglês
| MEDLINE | ID: mdl-24571078
7.
Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions.
J Comput Chem
; 34(9): 707-19, 2013 Apr 05.
Artigo
Inglês
| MEDLINE | ID: mdl-23233426
8.
Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-.
J Chem Phys
; 136(4): 044509, 2012 Jan 28.
Artigo
Inglês
| MEDLINE | ID: mdl-22299893
9.
Theoretical investigation of the water/corundum (0001) interface.
J Chem Phys
; 130(6): 064702, 2009 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-19222285
10.
Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System.
ACS Omega
; 4(5): 8167-8177, 2019 May 31.
Artigo
Inglês
| MEDLINE | ID: mdl-31459906
11.
Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations.
Chem Commun (Camb)
; 54(91): 12824-12827, 2018 Nov 13.
Artigo
Inglês
| MEDLINE | ID: mdl-30379154
12.
First structural characterization of Pa(iv) in aqueous solution and quantum chemical investigations of the tetravalent actinides up to Bk(IV): the evidence of a curium break.
Dalton Trans
; 45(2): 453-7, 2016 Jan 14.
Artigo
Inglês
| MEDLINE | ID: mdl-26465740
13.
[An(H2O)9](CF3SO3)3 (An=U-Cm, Cf): exploring their stability, structural chemistry, and magnetic behavior by experiment and theory.
Angew Chem Int Ed Engl
; 49(36): 6343-7, 2010 Aug 23.
Artigo
Inglês
| MEDLINE | ID: mdl-20575123
14.
Thorium nanochemistry: the solution structure of the Th(IV)-hydroxo pentamer.
Dalton Trans
; 41(36): 10941-7, 2012 Aug 28.
Artigo
Inglês
| MEDLINE | ID: mdl-22565635
15.
Characterization of redox sensitive plutonium(III) complexed with alkylated 2,6-ditriazinylpyridine (BTP) in organic solution.
Dalton Trans
; 39(21): 5117-22, 2010 Jun 07.
Artigo
Inglês
| MEDLINE | ID: mdl-20383350
16.
Quantum chemical and molecular dynamics study of the coordination of Th(IV) in aqueous solvent.
J Phys Chem B
; 114(48): 15913-24, 2010 Dec 09.
Artigo
Inglês
| MEDLINE | ID: mdl-21070066
17.
Complexation of Cm(III) with fluoride in aqueous solution in the temperature range from 20 to 90 °C. A joint TRLFS and quantum chemical study.
J Phys Chem B
; 114(47): 15626-34, 2010 Dec 02.
Artigo
Inglês
| MEDLINE | ID: mdl-21053956
18.
Hydration of mineral surfaces probed at the molecular level.
Langmuir
; 24(23): 13434-9, 2008 Dec 02.
Artigo
Inglês
| MEDLINE | ID: mdl-18980345
19.
Electron transfer in neptunyl(VI)-neptunyl(V) complexes in solution.
J Phys Chem A
; 109(22): 4950-6, 2005 Jun 09.
Artigo
Inglês
| MEDLINE | ID: mdl-16833842
20.
Spin-orbit effects in electron transfer in neptunyl(VI)-neptunyl(V) complexes in solution.
J Phys Chem A
; 109(22): 4957-60, 2005 Jun 09.
Artigo
Inglês
| MEDLINE | ID: mdl-16833843