Lista de obras - Shuping Huang - Dominio Público Uruguay

A periodic density functional theory study on the effects of halides encapsulated in SiC nanotubes

scientific article published on 01 November 2008

A theoretical investigation of hyperpolarizability for small Ga(n)As(m) (n + m = 4-10) clusters

scientific article published on 01 March 2006

Carbon-based dots for the electrochemical production of hydrogen peroxide

artículo científico publicado en 2020

Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds

artículo científico publicado en 2013

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): effects of oxidation state, spin state, and coordination number

scientific article published on 01 January 2013

Design of efficient thermally activated delayed fluorescence materials for pure blue organic light emitting diodes.

artículo científico publicado en 2012

Effect of cage charges on multiphoton absorptions: first-principles study on metallofullerenes Sc(2)C(2)@C(68) and Sc(3)N@C(68).

artículo científico publicado en 2009

Effective Electrochemical Charge Storage in the High-Lithium Compound Li8ZrO6

artículo científico publicado en 2019

Electronic Origin for Enhanced Nonlinear Optical Response of Complexes from Tetraalkylammonium Halide and Carbon Tetrabromide: Electrostatic Potentials of Intermolecular Donor–Acceptor Dyads

artículo científico publicado en 2006

First-principles determinations and investigations of the electronic absorption and third-order polarizability spectra of electron donor-acceptor chromophores tetraalkylammonium halide/carbon tetrabromide.

artículo científico publicado en 2007

First-principles study: size-dependent optical properties for semiconducting silicon carbide nanotubes

artículo científico publicado en 2007

From molecule to bulk material: optical properties of hydrogen-bonded dimers [C12H12N4O2AgPF6]2 and [C28H28N6O3AgPF6]2 depend on the arrangement of the oxime moieties.

artículo científico publicado en 2007

In Situ Confined Co5Ge3 Alloy Nanoparticles in Nitrogen-Doped Carbon Nanotubes for Boosting Lithium Storage

artículo científico publicado en 2020

KMBP2O8 (M = Sr, Ba): a new kind of noncentrosymmetry borophosphate with the three-dimensional diamond-like framework

artículo científico publicado en 2009

Localizing Holes as Polarons and Predicting Band Gaps, Defect Levels, and Delithiation Energies of Solid-State Materials with a Local Exchange-Correlation Functional

Mechanism of electrochemical lithiation of a metal-organic framework without redox-active nodes

artículo científico publicado en 2016

Metal-organic framework-derived hollow structure CoS2/nitrogen-doped carbon spheres for high-performance lithium/sodium ion batteries

artículo científico publicado en 2020

MnSb2S4 Monolayer as an Anode Material for Metal-Ion Batteries

article published in 2018

Modeling of configurations and third-order nonlinear optical properties of methyl silsesquioxanes

artículo científico publicado en 2005

Molecule–substrate interaction channels of metal-phthalocyanines on graphene on Ni(111) surface

artículo científico publicado en 2011

Oligothiophene-Bridged Bis(arylene ethynylene) Small Molecules for Solution-Processible Organic Solar Cells with High Open-Circuit Voltage

article

Perylenequinonoid-Catalyzed [4 + 1] and [4 + 2] Annulations of Azoalkenes: Photocatalytic Access to 1,2,3-Thiadiazole/1,4,5,6-Tetrahydropyridazine Derivatives

scientific article published on 31 May 2019

Perylenequinonoid-catalyzed photoredox activation for the direct arylation of (het)arenes with sunlight

scientific article published on 01 April 2019

Se2(B2O7): a new type of second-order NLO material

artículo científico publicado en 2006

Starburst Triarylamine Donor-Based Metal-Free Photosensitizers for Photocatalytic Hydrogen Production from Water.

artículo científico publicado en 2017

Surface passivation-induced strong ferromagnetism of zinc oxide nanowires

scientific article published on 01 November 2010

Synthesis, structure, and photophysics of copper(i) triphenylphosphine complexes with functionalized 3-(2'-pyrimidinyl)-1,2,4-triazole ligands

artículo científico publicado en 2017

Theoretical study of two-photon absorption in donor-acceptor chromophores tetraalkylammonium halide/carbon tetrabromide

artículo científico publicado en 2006

Lista de obras de Shuping Huang

A periodic density functional theory study on the effects of halides encapsulated in SiC nanotubes

A theoretical investigation of hyperpolarizability for small Ga(n)As(m) (n + m = 4-10) clusters

Carbon-based dots for the electrochemical production of hydrogen peroxide

Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): effects of oxidation state, spin state, and coordination number

Design of efficient thermally activated delayed fluorescence materials for pure blue organic light emitting diodes.

Effect of cage charges on multiphoton absorptions: first-principles study on metallofullerenes Sc(2)C(2)@C(68) and Sc(3)N@C(68).

Effective Electrochemical Charge Storage in the High-Lithium Compound Li8ZrO6

Electronic Origin for Enhanced Nonlinear Optical Response of Complexes from Tetraalkylammonium Halide and Carbon Tetrabromide: Electrostatic Potentials of Intermolecular Donor–Acceptor Dyads

First-principles determinations and investigations of the electronic absorption and third-order polarizability spectra of electron donor-acceptor chromophores tetraalkylammonium halide/carbon tetrabromide.

First-principles study: size-dependent optical properties for semiconducting silicon carbide nanotubes

From molecule to bulk material: optical properties of hydrogen-bonded dimers [C12H12N4O2AgPF6]2 and [C28H28N6O3AgPF6]2 depend on the arrangement of the oxime moieties.

In Situ Confined Co5Ge3 Alloy Nanoparticles in Nitrogen-Doped Carbon Nanotubes for Boosting Lithium Storage

KMBP2O8 (M = Sr, Ba): a new kind of noncentrosymmetry borophosphate with the three-dimensional diamond-like framework

Localizing Holes as Polarons and Predicting Band Gaps, Defect Levels, and Delithiation Energies of Solid-State Materials with a Local Exchange-Correlation Functional

Mechanism of electrochemical lithiation of a metal-organic framework without redox-active nodes

Metal-organic framework-derived hollow structure CoS2/nitrogen-doped carbon spheres for high-performance lithium/sodium ion batteries

MnSb2S4 Monolayer as an Anode Material for Metal-Ion Batteries

Modeling of configurations and third-order nonlinear optical properties of methyl silsesquioxanes

Molecule–substrate interaction channels of metal-phthalocyanines on graphene on Ni(111) surface

Oligothiophene-Bridged Bis(arylene ethynylene) Small Molecules for Solution-Processible Organic Solar Cells with High Open-Circuit Voltage

Perylenequinonoid-Catalyzed [4 + 1] and [4 + 2] Annulations of Azoalkenes: Photocatalytic Access to 1,2,3-Thiadiazole/1,4,5,6-Tetrahydropyridazine Derivatives

Perylenequinonoid-catalyzed photoredox activation for the direct arylation of (het)arenes with sunlight

Se2(B2O7): a new type of second-order NLO material

Starburst Triarylamine Donor-Based Metal-Free Photosensitizers for Photocatalytic Hydrogen Production from Water.

Surface passivation-induced strong ferromagnetism of zinc oxide nanowires

Synthesis, structure, and photophysics of copper(i) triphenylphosphine complexes with functionalized 3-(2'-pyrimidinyl)-1,2,4-triazole ligands

Theoretical study of two-photon absorption in donor-acceptor chromophores tetraalkylammonium halide/carbon tetrabromide