Detalhe da pesquisa
1.
Prediction of the structures and heats of formation of MO2, MO3, and M2O5 for M = V, Nb, Ta, Pa.
Phys Chem Chem Phys
; 25(12): 8355-8368, 2023 Mar 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-36912479
2.
Hydrolysis Reactions of the High Oxidation State Dimers Th2O4, Pa2O5, U2O6, and Np2O6. A Computational Study.
J Phys Chem A
; 127(32): 6732-6748, 2023 Aug 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-37549315
3.
Computational Study of Dehydration and Dehydrogenation of Ethanol on (TiO2)n (n = 2-4) Nanoclusters.
J Phys Chem A
; 127(16): 3614-3624, 2023 Apr 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-37043178
4.
NHC Carbene-Metal Complex Ligand Binding Energies.
J Phys Chem A
; 127(51): 10838-10850, 2023 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38109706
5.
The Crucial Role of Sb2 F10 in the Chemical Synthesis of F2.
Angew Chem Int Ed Engl
; 62(39): e202307218, 2023 Sep 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37438320
6.
Periodic Trends within Actinyl(VI) Nitrates and Their Structures, Vibrational Spectra, and Electronic Properties.
Inorg Chem
; 61(39): 15607-15618, 2022 Oct 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36130052
7.
Molecular Properties of Thorium Hydrides: Electron Affinities and Thermochemistry.
J Phys Chem A
; 126(15): 2388-2396, 2022 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35411767
8.
Dinuclear Complexes of Uranyl, Neptunyl, and Plutonyl: Structures and Oxidation States Revealed by Experiment and Theory.
J Phys Chem A
; 126(42): 7695-7708, 2022 Oct 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-36251495
9.
Interaction of Th with H0/-/+: Combined Experimental and Theoretical Thermodynamic Properties.
J Phys Chem A
; 126(2): 198-210, 2022 Jan 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34989579
10.
Bond Dissociation Energies of Carbene-Carbene and Carbene-Main Group Adducts.
J Phys Chem A
; 126(17): 2658-2669, 2022 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35442677
11.
Observation of Selectively Populated Monohalide Excited States from the Reactions of Group 3 Metal (Sc, Y, and La) Monomers and Dimers with Halogen-Containing Molecules.
J Phys Chem A
; 126(22): 3403-3426, 2022 Jun 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35613075
12.
Electronic Properties of UN and UN- from Photoelectron Spectroscopy and Correlated Molecular Orbital Theory.
J Phys Chem A
; 126(43): 7944-7953, 2022 Nov 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36269194
13.
Experimental and Computational Description of the Interaction of H and H- with U.
J Phys Chem A
; 126(27): 4432-4443, 2022 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35767645
14.
Theoretical and Experimental Study of the Spectroscopy and Thermochemistry of UC+/0/.
J Phys Chem A
; 126(50): 9392-9407, 2022 Dec 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-36508745
15.
Impact of Noncovalent Interactions on the Structural Chemistry of Thorium(IV)-Aquo-Chloro Complexes.
Inorg Chem
; 60(9): 6375-6390, 2021 May 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33885290
16.
Synergistic Coupling of CO2 and H2O during Expansion of Clays in Supercritical CO2-CH4 Fluid Mixtures.
Environ Sci Technol
; 2021 Aug 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34342971
17.
Bond Dissociation Energies in Heavy Element Chalcogen and Halogen Small Molecules.
J Phys Chem A
; 125(9): 1892-1902, 2021 Mar 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33645983
18.
Prediction of An(III)/Ln(III) Separation by 1,2,4-Triazinylpyridine Derivatives.
J Phys Chem A
; 125(30): 6529-6542, 2021 Aug 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34286991
19.
Th2O-, Th2Au-, and Th2AuO1,2- Anions: Photoelectron Spectroscopic and Computational Characterization of Energetics and Bonding.
J Phys Chem A
; 125(1): 258-271, 2021 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33327720
20.
Hydrolysis of Small Oxo/Hydroxo Molecules Containing High Oxidation State Actinides (Th, Pa, U, Np, Pu): A Computational Study.
J Phys Chem A
; 125(28): 6158-6170, 2021 Jul 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34240864