Detalhe da pesquisa
1.
Thermodynamics of Metal Carbonates and Bicarbonates and Their Hydrates for Mg, Ca, Fe, and Cd Relevant to Mineral Energetics.
J Phys Chem A
; 124(9): 1829-1840, 2020 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32004000
2.
In Situ Natural Abundance 17O and 25Mg NMR Investigation of Aqueous Mg(OH)2 Dissolution in the Presence of Supercritical CO2.
Environ Sci Technol
; 50(22): 12373-12384, 2016 11 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-27718556
3.
Prediction of the pKa's of aqueous metal ion +2 complexes.
J Phys Chem A
; 119(12): 2926-39, 2015 Mar 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-25721568
4.
Structures and energetics of (MgCO3)n clusters (n ≤ 16).
J Phys Chem A
; 119(14): 3419-28, 2015 Apr 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-25768206
5.
Density functional theory study of the complexation of the uranyl dication with anionic phosphate ligands with and without water molecules.
J Phys Chem A
; 117(36): 8939-57, 2013 Sep 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-23905705
6.
Thermochemical properties of selenium fluorides, oxides, and oxofluorides.
Inorg Chem
; 51(4): 2472-85, 2012 Feb 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-22316400
7.
Methane to methanol conversion induced by thorium oxide through the CH3Th(O)H intermediate in solid argon.
Inorg Chem
; 51(20): 11055-60, 2012 Oct 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-23002994
8.
High-level ab initio predictions of the energetics of mCO2·(H2O)n (n = 1-3, m = 1-12) clusters.
J Phys Chem A
; 116(39): 9718-29, 2012 Oct 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-22924553
9.
Matrix infrared spectra and theoretical studies of thorium oxide species: ThOx and Th2Oy.
J Phys Chem A
; 115(50): 14407-16, 2011 Dec 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-22035106
10.
Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
J Phys Chem A
; 112(41): 10386-98, 2008 Oct 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-18816037
11.
Prediction of vibrational frequencies of UO2(2+) at the CCSD(T) level.
J Phys Chem A
; 112(17): 4095-9, 2008 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-18348547
12.
Fundamental thermochemical properties of amino acids: gas-phase and aqueous acidities and gas-phase heats of formation.
J Phys Chem B
; 116(9): 2905-16, 2012 Mar 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-22277062
13.
Quantum-chemical calculations of carbon-isotope fractionation in CO2(g), aqueous carbonate species, and carbonate minerals.
J Phys Chem A
; 112(3): 542-55, 2008 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-18166027