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1.
Controlling and Optimizing Photoinduced Charge Transfer across Ultrathin Silica Separation Membrane with Embedded Molecular Wires for Artificial Photosynthesis.
ACS Appl Mater Interfaces
; 13(20): 23532-23546, 2021 May 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-33983702
2.
First-Principles Characterization and Experimental Validation of the Solid-Solid Interface in a Novel Organosulfur Cathode for the Li-S Battery.
ACS Appl Mater Interfaces
; 12(15): 18101-18109, 2020 Apr 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-32200621
3.
Equation of State of Fluid Methane from First Principles with Machine Learning Potentials.
J Chem Theory Comput
; 15(4): 2574-2586, 2019 Apr 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-30794393
4.
Electronic and vibronic contributions to two-photon absorption in donor-acceptor-donor squaraine chromophores.
Chemistry
; 14(35): 11082-91, 2008.
Artículo
en Inglés
| MEDLINE | ID: mdl-18972462
5.
Predicting exchange coupling constants in frustrated molecular magnets using density functional theory.
Inorg Chem
; 46(25): 10539-48, 2007 Dec 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-17999488
6.
Accurate magnetic exchange couplings in transition-metal complexes from constrained density-functional theory.
J Chem Phys
; 124(2): 024103, 2006 Jan 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-16422567
7.
Synthesis, crystal structure, and magnetic properties of an alkoxo-hydroxo-bridged octanuclear copper(II) complex showing chemically significant hydrogen-bonding interactions involving a metallamacrocyclic core.
Inorg Chem
; 42(2): 463-8, 2003 Jan 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-12693228
8.
Covalent linkage of the type-2 and type-3 structural mimics to model the active site structure of multicopper oxidases: synthesis and magneto- structural properties of two angular trinuclear copper(II) complexes.
Inorg Chem
; 42(18): 5660-8, 2003 Sep 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-12950215
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