Detalhe da pesquisa
1.
Prediction of Aqueous Reduction Potentials of Xâ¢, ChHâ¢, and XO⢠Radicals with X = Halogen and Ch = Chalcogen.
J Phys Chem A
; 127(50): 10600-10612, 2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38085654
2.
Crystallographic evidence of Watson-Crick connectivity in the base pair of anionic adenine with thymine.
Proc Natl Acad Sci U S A
; 117(31): 18224-18230, 2020 08 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32680959
3.
Absolute Hydration Free Energy of Small Anions and the Aqueous pKa of Simple Acids.
J Phys Chem A
; 126(49): 9190-9206, 2022 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36469972
4.
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
5.
The Hâ¢/H- Redox Couple and Absolute Hydration Energy of H.
J Phys Chem A
; 124(29): 6084-6095, 2020 Jul 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-32574051
6.
Reaction Energetics and 13C Fractionation of Alanine Transamination in the Aqueous and Gas Phases.
J Phys Chem A
; 124(10): 2077-2089, 2020 Mar 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31999118
7.
Polarizabilities of neutral atoms and atomic ions with a noble gas electron configuration.
J Chem Phys
; 153(17): 174304, 2020 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33167656
8.
Energetics of CO2- in Aqueous Solution.
J Phys Chem A
; 123(6): 1243-1259, 2019 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30640468
9.
Elucidation of Bottom-Up Growth of CaCO3 Involving Prenucleation Clusters from Structure Predictions and Decomposition of Globally Optimized (CaCO3)n Nanoclusters.
ACS Nano
; 14(4): 4153-4165, 2020 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32267671
10.
Experimental and Computational Study of the Gas-Phase Acidities of Acidic Di- and Tripeptides.
J Phys Chem B
; 123(3): 606-613, 2019 01 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-30609894