Detalhe da pesquisa
1.
Modulating Structural and Electronic Properties of Rare Archimedean and Johnson-Type Mn Cages.
Inorg Chem
; 60(12): 8388-8393, 2021 Jun 21.
Artigo
Inglês
| MEDLINE | ID: mdl-34076418
2.
Flexible Metal-Organic Frameworks for Light-Switchable CO2 Sorption Using an Auxiliary Ligand Strategy.
Inorg Chem
; 58(15): 9766-9772, 2019 Aug 05.
Artigo
Inglês
| MEDLINE | ID: mdl-31287299
3.
Layered CeSO and LiCeSO Oxide Chalcogenides Obtained via Topotactic Oxidative and Reductive Transformations.
Inorg Chem
; 58(6): 3838-3850, 2019 Mar 18.
Artigo
Inglês
| MEDLINE | ID: mdl-30799613
4.
Defects in orthorhombic LaMnO3 - ionic versus electronic compensation.
Phys Chem Chem Phys
; 20(28): 19257-19267, 2018 Jul 18.
Artigo
Inglês
| MEDLINE | ID: mdl-29989139
5.
Modelling oxygen defects in orthorhombic LaMnO3 and its low index surfaces.
Phys Chem Chem Phys
; 19(36): 24636-24646, 2017 Sep 20.
Artigo
Inglês
| MEDLINE | ID: mdl-28856363
6.
Band alignment of rutile and anatase TiO2.
Nat Mater
; 12(9): 798-801, 2013 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-23832124
7.
Occupation matrix control of d- and f-electron localisations using DFT + U.
Phys Chem Chem Phys
; 16(39): 21016-31, 2014 Oct 21.
Artigo
Inglês
| MEDLINE | ID: mdl-24832683
8.
Ceria co-doping: synergistic or average effect?
Phys Chem Chem Phys
; 16(18): 8320-31, 2014 May 14.
Artigo
Inglês
| MEDLINE | ID: mdl-24658460
9.
Cu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: insights from theory.
Phys Chem Chem Phys
; 15(37): 15477-84, 2013 Oct 07.
Artigo
Inglês
| MEDLINE | ID: mdl-23942576
10.
Size-dependent activity of carbon dots for photocatalytic H2 generation in combination with a molecular Ni cocatalyst.
Nanoscale
; 15(38): 15775-15784, 2023 Oct 05.
Artigo
Inglês
| MEDLINE | ID: mdl-37740380
11.
Charge localization increases chemical expansion in cerium-based oxides.
Phys Chem Chem Phys
; 14(35): 12070-4, 2012 Sep 21.
Artigo
Inglês
| MEDLINE | ID: mdl-22824830
12.
Stereochemistry of post-transition metal oxides: revision of the classical lone pair model.
Chem Soc Rev
; 40(9): 4455-63, 2011 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-21666920
13.
Sources of conductivity and doping limits in CdO from hybrid density functional theory.
J Am Chem Soc
; 133(38): 15065-72, 2011 Sep 28.
Artigo
Inglês
| MEDLINE | ID: mdl-21854046
14.
A comparative picosecond transient infrared study of 1-methylcytosine and 5'-dCMP that sheds further light on the excited states of cytosine derivatives.
J Am Chem Soc
; 133(12): 4212-5, 2011 Mar 30.
Artigo
Inglês
| MEDLINE | ID: mdl-21384855
15.
Uncovering the complex behavior of hydrogen in Cu2O.
Phys Rev Lett
; 106(18): 186403, 2011 May 06.
Artigo
Inglês
| MEDLINE | ID: mdl-21635109
16.
Nature of the band gap and origin of the conductivity of PbO2 revealed by theory and experiment.
Phys Rev Lett
; 107(24): 246402, 2011 Dec 09.
Artigo
Inglês
| MEDLINE | ID: mdl-22243014
17.
Band gap anomalies of the ZnM2(III)O4 (M(III)=Co, Rh, Ir) spinels.
Phys Chem Chem Phys
; 13(20): 9667-75, 2011 May 28.
Artigo
Inglês
| MEDLINE | ID: mdl-21494718
18.
The origin of the enhanced oxygen storage capacity of Ce(1-x)(Pd/Pt)(x)O2.
Phys Chem Chem Phys
; 13(10): 4279-84, 2011 Mar 14.
Artigo
Inglês
| MEDLINE | ID: mdl-21249239
19.
Validation of all-atom phosphatidylcholine lipid force fields in the tensionless NPT ensemble.
Biochim Biophys Acta
; 1788(3): 638-49, 2009 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-19014902
20.
Understanding conductivity anomalies in Cu(I)-based delafossite transparent conducting oxides: Theoretical insights.
J Chem Phys
; 132(2): 024707, 2010 Jan 14.
Artigo
Inglês
| MEDLINE | ID: mdl-20095694