Lista de obras - Guochun Yang - Dominio Público Uruguay

A Stable, Magnetic, and Metallic Li3O4 Compound as a Discharge Product in a Li-Air Battery

artículo científico publicado en 2014

A hypervalent and cubically coordinated molecular phase of IF predicted at high pressure

artículo científico publicado en 2019

Achieving high hydrogen evolution reaction activity of a Mo2C monolayer

artículo científico publicado en 2020

Chiral macrocyclic imine nickel(II) coordination complexes with diverse photophysical properties

scholarly article by Chunyu Liu et al published May 2017 in Dyes and Pigments

Chirality recognition of the protonated serine dimer and octamer by infrared multiphoton dissociation spectroscopy

artículo científico publicado en 2012

Chiroptical, linear, and second-order nonlinear optical properties of binaphthol derivatives

artículo científico publicado en 2012

Conformational distributions of N-acetyl-L-cysteine in aqueous solutions: a combined implicit and explicit solvation treatment of VA and VCD spectra

artículo científico publicado en 2012

Conformations of serine in aqueous solutions as revealed by vibrational circular dichroism

artículo científico publicado en 2012

DFT characterization on the mechanism of water splitting catalyzed by single-Ru-substituted polyoxometalates

artículo científico publicado en 2013

Density functional theory study on the first hyperpolarizabilities of organoimido derivatives of hexamolybdates

artículo científico publicado en 2005

Determination of the absolute configuration of pentacoordinate chiral phosphorus compounds in solution by using vibrational circular dichroism spectroscopy and density functional theory

artículo científico publicado en 2010

Determination of the absolute configurations of bicyclo[3.1.0]hexane derivatives via electronic circular dichroism, optical rotation dispersion and vibrational circular dichroism spectroscopy and density functional theory calculations

artículo científico publicado en 2010

Determination of the absolute configurations of synthetic daunorubicin analogues using vibrational circular dichroism spectroscopy and density functional theory

artículo científico publicado en 2010

Diastereomers of the pentacoordinate chiral phosphorus compounds in solution: absolute configurations and predominant conformations

artículo científico publicado en 2010

Effect of pi-conjugated length of bridging ligand on the optoelectronic properties of platinum(II) dimers

artículo científico publicado en 2008

Electronic structure and second-order nonlinear optical property of chiral peropyrenes

scientific article published on 12 July 2019

Exploring the Limits of Transition-Metal Fluorination at High Pressures

artículo científico publicado en 2020

Exploring the origin of electrochemical performance of Cr-doped LiNi0.5Mn1.5O4

artículo científico publicado en 2020

Gold as a 6p-Element in Dense Lithium Aurides.

artículo científico publicado en 2016

Gold with +4 and +6 Oxidation States in AuF4 and AuF6

scientific article published on 23 July 2018

High performance full color OLEDs based on a class of molecules with dual carrier transport channels and small singlet-triplet splitting.

artículo científico publicado en 2015

High-Temperature Ferromagnetism in an Fe3P Monolayer with a Large Magnetic Anisotropy

scientific article published on 13 May 2019

High-temperature driven inter-valley carrier transfer and significant fluorescence enhancement in multilayer WS2

scientific article published on 29 June 2018

Highly Efficient Long-Wavelength Thermally Activated Delayed Fluorescence OLEDs Based on Dicyanopyrazino Phenanthrene Derivatives

artículo científico publicado en 2017

IrF8 Molecular Crystal under High Pressure

artículo científico publicado en 2019

Lithium lanthanum titanate perovskite as an anode for lithium ion batteries

scientific article published on 13 July 2020

Mixed-valence Compounds: AuO2 and AuS

artículo científico publicado en 2018

Nonplanar donor-acceptor chiral molecules with large second-order optical nonlinearities: 1,1,4,4-tetracyanobuta-1,3-diene derivatives

artículo científico publicado en 2014

O2 Adsorption Associated with Sulfur Vacancies on MoS2 Microspheres

scientific article published on 11 January 2019

Organic Polymorphs: One-Compound-Based Crystals with Molecular-Conformation- and Packing-Dependent Luminescent Properties

article

Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides

artículo científico publicado en 2015

Predication of second-order optical nonlinearity of [(Bu2t Im)AuX] (X=halogen) using time-dependent density-functional theory combined with sum-over-states method

artículo científico publicado en 2005

Predicted Pressure-Induced Superconducting Transition in Electride Li_{6}P

artículo científico publicado en 2019

Prediction of new thermodynamically stable ZnN2O3 at high pressure

scientific article published on 06 May 2020

Prediction of second-order optical nonlinearity of trisorganotin-substituted beta-Keggin polyoxotungstate

artículo científico publicado en 2006

Prediction of the Xe–He binary phase diagram at high pressures

article

Pressure-Induced Stable Beryllium Peroxide.

artículo científico publicado en 2017

Probing chiral solute-water hydrogen bonding networks by chirality transfer effects: a vibrational circular dichroism study of glycidol in water.

artículo científico publicado en 2009

Reversible redox-switchable second-order optical nonlinearity in polyoxometalate: a quantum chemical study of [PW11O39(ReN)]n- (n = 3-7).

artículo científico publicado en 2008

Silicon Framework-Based Lithium Silicides at High Pressures

artículo científico publicado en 2016

Structure and Electronic Properties of Fe2SH3 Compound under High Pressure

artículo científico publicado en 2016

TDDFT studies on chiral organophosphonate substituted divacant Keggin-type polyoxotungstate: diplex multistep-redox-triggered chiroptical and NLO switch

artículo científico publicado en 2012

TDDFT studies on the structures and ECD spectra of chiral bisarylimidos bearing different lengths of o-alkoxy chain-substituted polyoxomolybdates

artículo científico publicado en 2012

Tellurium Hydrides at High Pressures: High-Temperature Superconductors

artículo científico publicado en 2016

The effect of intermolecular interactions on the charge transport properties of thiazole/thiophene-based oligomers with trifluoromethylphenyl

artículo científico publicado en 2014

The effects of self-aggregation on the vibrational circular dichroism and optical rotation measurements of glycidol

artículo científico publicado en 2008

The modulation of electronic and optical properties of OXD-X through introduction of the electron-withdrawing groups: a DFT study

artículo científico publicado en 2009

Theoretical insights into [PMo12O40](3-) grafted on single-walled carbon nanotubes

artículo científico publicado en 2013

Theoretical investigations on electronic spectra and the redox-switchable second-order nonlinear optical responses of rhodium(I)-9,10-phenanthrenediimine complexes

artículo científico publicado en 2011

Theoretical study on a novel series of fullerene-containing organometallics Fe(eta5-C55X5)2 (X = CH, N, B) and their large third-order nonlinear optical properties

artículo científico publicado en 2008

Theoretical study on photophysical and charge transport properties of 1,6-bis(2-hydroxyphenol)pyridylboron bis(4-n-butylphenyl)phenyleneamine compound

artículo científico publicado en 2006

Theoretical study on photophysical properties of Pt(II) triarylborons with a 2,2-bpy core derivatives

artículo científico publicado en 2013

Theoretical study on photophysical properties of phenolpyridyl boron complexes

artículo científico publicado en 2007

Theoretical study on the charge transport property of Pt(CN(t)Bu)2(CN)2 nanowires induced by Pt···Pt interactions

artículo científico publicado en 2012

Theoretical study on the chiroptical optical properties of chiral fullerene C60 derivative

scientific article published on 02 November 2011

Theoretical study on the electronic spectrum and the origin of remarkably large third-order nonlinear optical properties of organoimide derivatives of hexamolybdates

artículo científico publicado en 2006

Theoretical study on the rectifying performance of organoimido derivatives of hexamolybdates

artículo científico publicado en 2013

Theoretical study on the second-order nonlinear optical properties of asymmetric spirosilabifluorene derivatives

artículo científico publicado en 2006

TiC3 Monolayer with High Specific Capacity for Sodium-Ion Batteries.

artículo científico publicado en 2018

Two-Dimensional PC6 with Direct Band Gap and Anisotropic Carrier Mobility

scientific article published on 16 January 2019

Unconventional stable stoichiometry of vanadium peroxide

scientific article published on 11 May 2020

Unveiling the Photophysical Properties of Boron Heptaaryldipyrromethene Derivatives

artículo científico publicado en 2018

Vibrational absorption, vibrational circular dichroism, and theoretical studies of methyl lactate self-aggregation and methyl lactate-methanol intermolecular interactions

artículo científico publicado en 2010

Vibrational circular dichroism spectroscopy of chiral molecules.

artículo científico publicado en 2011

Lista de obras de Guochun Yang

A Stable, Magnetic, and Metallic Li3O4 Compound as a Discharge Product in a Li-Air Battery

A hypervalent and cubically coordinated molecular phase of IF predicted at high pressure

Achieving high hydrogen evolution reaction activity of a Mo2C monolayer

Chiral macrocyclic imine nickel(II) coordination complexes with diverse photophysical properties

Chirality recognition of the protonated serine dimer and octamer by infrared multiphoton dissociation spectroscopy

Chiroptical, linear, and second-order nonlinear optical properties of binaphthol derivatives

Conformational distributions of N-acetyl-L-cysteine in aqueous solutions: a combined implicit and explicit solvation treatment of VA and VCD spectra

Conformations of serine in aqueous solutions as revealed by vibrational circular dichroism

DFT characterization on the mechanism of water splitting catalyzed by single-Ru-substituted polyoxometalates

Density functional theory study on the first hyperpolarizabilities of organoimido derivatives of hexamolybdates

Determination of the absolute configuration of pentacoordinate chiral phosphorus compounds in solution by using vibrational circular dichroism spectroscopy and density functional theory

Determination of the absolute configurations of bicyclo[3.1.0]hexane derivatives via electronic circular dichroism, optical rotation dispersion and vibrational circular dichroism spectroscopy and density functional theory calculations

Determination of the absolute configurations of synthetic daunorubicin analogues using vibrational circular dichroism spectroscopy and density functional theory

Diastereomers of the pentacoordinate chiral phosphorus compounds in solution: absolute configurations and predominant conformations

Effect of pi-conjugated length of bridging ligand on the optoelectronic properties of platinum(II) dimers

Electronic structure and second-order nonlinear optical property of chiral peropyrenes

Exploring the Limits of Transition-Metal Fluorination at High Pressures

Exploring the origin of electrochemical performance of Cr-doped LiNi0.5Mn1.5O4

Gold as a 6p-Element in Dense Lithium Aurides.

Gold with +4 and +6 Oxidation States in AuF4 and AuF6

High performance full color OLEDs based on a class of molecules with dual carrier transport channels and small singlet-triplet splitting.

High-Temperature Ferromagnetism in an Fe3P Monolayer with a Large Magnetic Anisotropy

High-temperature driven inter-valley carrier transfer and significant fluorescence enhancement in multilayer WS2

Highly Efficient Long-Wavelength Thermally Activated Delayed Fluorescence OLEDs Based on Dicyanopyrazino Phenanthrene Derivatives

IrF8 Molecular Crystal under High Pressure

Lithium lanthanum titanate perovskite as an anode for lithium ion batteries

Mixed-valence Compounds: AuO2 and AuS

Nonplanar donor-acceptor chiral molecules with large second-order optical nonlinearities: 1,1,4,4-tetracyanobuta-1,3-diene derivatives

O2 Adsorption Associated with Sulfur Vacancies on MoS2 Microspheres

Organic Polymorphs: One-Compound-Based Crystals with Molecular-Conformation- and Packing-Dependent Luminescent Properties

Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides

Predication of second-order optical nonlinearity of [(Bu2t Im)AuX] (X=halogen) using time-dependent density-functional theory combined with sum-over-states method

Predicted Pressure-Induced Superconducting Transition in Electride Li_{6}P

Prediction of new thermodynamically stable ZnN2O3 at high pressure

Prediction of second-order optical nonlinearity of trisorganotin-substituted beta-Keggin polyoxotungstate

Prediction of the Xe–He binary phase diagram at high pressures

Pressure-Induced Stable Beryllium Peroxide.

Probing chiral solute-water hydrogen bonding networks by chirality transfer effects: a vibrational circular dichroism study of glycidol in water.

Reversible redox-switchable second-order optical nonlinearity in polyoxometalate: a quantum chemical study of [PW11O39(ReN)]n- (n = 3-7).

Silicon Framework-Based Lithium Silicides at High Pressures

Structure and Electronic Properties of Fe2SH3 Compound under High Pressure

TDDFT studies on chiral organophosphonate substituted divacant Keggin-type polyoxotungstate: diplex multistep-redox-triggered chiroptical and NLO switch

TDDFT studies on the structures and ECD spectra of chiral bisarylimidos bearing different lengths of o-alkoxy chain-substituted polyoxomolybdates

Tellurium Hydrides at High Pressures: High-Temperature Superconductors

The effect of intermolecular interactions on the charge transport properties of thiazole/thiophene-based oligomers with trifluoromethylphenyl

The effects of self-aggregation on the vibrational circular dichroism and optical rotation measurements of glycidol

The modulation of electronic and optical properties of OXD-X through introduction of the electron-withdrawing groups: a DFT study

Theoretical insights into [PMo12O40](3-) grafted on single-walled carbon nanotubes

Theoretical investigations on electronic spectra and the redox-switchable second-order nonlinear optical responses of rhodium(I)-9,10-phenanthrenediimine complexes

Theoretical study on a novel series of fullerene-containing organometallics Fe(eta5-C55X5)2 (X = CH, N, B) and their large third-order nonlinear optical properties

Theoretical study on photophysical and charge transport properties of 1,6-bis(2-hydroxyphenol)pyridylboron bis(4-n-butylphenyl)phenyleneamine compound

Theoretical study on photophysical properties of Pt(II) triarylborons with a 2,2-bpy core derivatives

Theoretical study on photophysical properties of phenolpyridyl boron complexes

Theoretical study on the charge transport property of Pt(CN(t)Bu)2(CN)2 nanowires induced by Pt···Pt interactions

Theoretical study on the chiroptical optical properties of chiral fullerene C60 derivative

Theoretical study on the electronic spectrum and the origin of remarkably large third-order nonlinear optical properties of organoimide derivatives of hexamolybdates

Theoretical study on the rectifying performance of organoimido derivatives of hexamolybdates

Theoretical study on the second-order nonlinear optical properties of asymmetric spirosilabifluorene derivatives

TiC3 Monolayer with High Specific Capacity for Sodium-Ion Batteries.

Two-Dimensional PC6 with Direct Band Gap and Anisotropic Carrier Mobility

Unconventional stable stoichiometry of vanadium peroxide

Unveiling the Photophysical Properties of Boron Heptaaryldipyrromethene Derivatives

Vibrational absorption, vibrational circular dichroism, and theoretical studies of methyl lactate self-aggregation and methyl lactate-methanol intermolecular interactions

Vibrational circular dichroism spectroscopy of chiral molecules.