Detalhe da pesquisa
1.
Analysis of the First Ion Coordination Sphere: A Toolkit to Analyze the Coordination Sphere of Ions.
J Chem Inf Model
; 63(9): 2699-2706, 2023 05 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37083437
2.
Ionic Contraction across the Lanthanide Series Decreases the Temperature-Induced Disorder of the Water Coordination Sphere.
Inorg Chem
; 61(1): 287-294, 2022 Jan 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34919399
3.
Water Defect Stabilizes the Bi3+ Lone-Pair Electronic State Leading to an Unusual Aqueous Hydration Structure.
Inorg Chem
; 61(38): 14987-14996, 2022 Sep 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-36099562
4.
Computational Prediction of All Lanthanide Aqua Ion Acidity Constants.
Inorg Chem
; 60(14): 10257-10266, 2021 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-34214391
5.
Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy.
Inorg Chem
; 60(5): 3117-3130, 2021 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33544594
6.
Correction to "Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy".
Inorg Chem
; 2024 Jun 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38920091