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List of works by Guochun Yang

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

scientific article published on 11 July 2014

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

scientific article published on 03 January 2019

Achieving high hydrogen evolution reaction activity of a Mo2C monolayer

scientific article published on 16 November 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

scientific article published on 18 December 2012

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

scientific article published on 02 October 2012

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

scientific article published on 27 April 2012

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

scientific article published on 14 February 2012

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

scientific article published on 13 June 2013

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

scientific article published on 01 December 2005

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

scientific article published in February 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

scientific article published on 22 June 2010

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

scientific article published on 01 August 2010

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

scientific article published on 23 June 2010

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

scientific article published on 6 March 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

scientific article published on 09 March 2020

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

scientific article published on 01 February 2020

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

scientific article

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.

scientific article published on 4 June 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

scientific article

IrF8 Molecular Crystal under High Pressure

scientific article published on 21 March 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

scientific article published on 19 September 2018

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

scientific article published on 04 February 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

scientific article

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

scientific article published on 01 October 2005

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

scientific article published on 01 March 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

scientific article published on 01 September 2006

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

article

Pressure-Induced Stable Beryllium Peroxide.

scientific article

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

scientific article published in April 2009

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

scientific article published on 21 May 2008

Silicon Framework-Based Lithium Silicides at High Pressures

scientific article published on 24 June 2016

Structure and Electronic Properties of Fe2SH3 Compound under High Pressure

scientific article published on 26 October 2016

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

scientific article published on 05 July 2012

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

scientific article published on 04 February 2012

Tellurium Hydrides at High Pressures: High-Temperature Superconductors

scientific article published on 4 February 2016

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

scientific article

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

scientific article published on 3 October 2008

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

scientific article published on 20 October 2009

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

scientific article published on 07 May 2013

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

scientific article published on 20 November 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

scientific article published on 12 August 2008

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

scientific article published in July 2006

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

scientific article published on 25 July 2013

Theoretical study on photophysical properties of phenolpyridyl boron complexes

scientific article published on 17 March 2007

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

scientific article published on 09 May 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

scientific article published in November 2006

Theoretical study on the rectifying performance of organoimido derivatives of hexamolybdates

scientific article published on 9 January 2013

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

scientific article published on 01 April 2006

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

scientific article

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

scientific article published on 25 July 2018

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

scientific article published on June 2010

Vibrational circular dichroism spectroscopy of chiral molecules.

scientific article

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