Detalhe da pesquisa
1.
Conduction Band Control of Oxyhalides with a Triple-Fluorite Layer for Visible Light Photocatalysis.
J Am Chem Soc
; 143(6): 2491-2499, 2021 Feb 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-33417448
2.
Synthesis, Crystal Structure, Symmetry Relationships, and Electronic Structure of Bismuth Carbodiimide Bi2(NCN)3 and Its Ammonia Adduct Bi2(NCN)3·NH3.
Inorg Chem
; 60(17): 12664-12670, 2021 Sep 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34428016
3.
LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory.
J Comput Chem
; 41(21): 1931-1940, 2020 Aug 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32531113
4.
Achieving band convergence by tuning the bonding ionicity in n-type Mg3 Sb2.
J Comput Chem
; 40(18): 1693-1700, 2019 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30889285
5.
Cationic Pb2 Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb2 Si5 N8.
Angew Chem Int Ed Engl
; 58(5): 1432-1436, 2019 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30536686
6.
First-Principles Chemical Bonding Study of Manganese Carbodiimide, MnNCN, As Compared to Manganese Oxide, MnO.
J Phys Chem A
; 121(40): 7778-7786, 2017 Oct 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-28933545
7.
What is the Valence of Mn in Ga(1-x)Mn(x)N?
Phys Rev Lett
; 115(19): 197203, 2015 Nov 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-26588410
8.
Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
Chempluschem
; 87(11): e202200246, 2022 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-35946984
9.
Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
Chempluschem
; 87(11): e202200123, 2022 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35762686
10.
Discovering Electron-Transfer-Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X = Te, Se, S, O).
Adv Mater
; 32(49): e2005533, 2020 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-33135228