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List of works by Chuan-Lu Yang

2D AlP3 with high carrier mobility and tunable band structure

scientific article published on 11 October 2019

A density functional theory study on the role of His-107 in arylamine N-acetyltransferase 2 acetylation

scientific article published on 27 March 2006

A new analytical potential energy surface for the singlet state of He2H+.

scientific article published in March 2012

A new mechanism for ethanol oxidation mediated by cytochrome P450 2E1: bulk polarity of the active site makes a difference

scientific article published on 01 February 2007

A quantum chemical study on the mechanism of glycinamide ribonucleotide transformylase inhibitor: 10-Formyl-5,8,10-trideazafolic acid.

scientific article

Ab initio Studies on Spectroscopic Constants for the HAsO molecule.

scientific article published on 25 August 2017

Ab initio configuration-interaction study of the ground and low-lying electronic states of NiI

scientific article published on 01 November 2005

Ab initio study of spectroscopic constants and anharmonic force field of 74GeCl2.

scientific article published in May 2007

Ab initio study on the ground and low-lying states of BAlk (Alk = Li, Na, K) molecules.

scientific article published on 28 April 2014

An ab initio study of the ground and low-lying excited states of KBe with the effect of inner-shell electrons

scientific article published in August 2013

Analytical potential energy functions and spectroscopic properties for the ground and low-lying excited states of KRb ⬇️

scientific article published on September 8, 2012

Anisotropic ionic conductivities in lyotropic supramolecular liquid crystals

scientific article published on 10 November 2009

Chalcogens doped BaTiO for visible light photocatalytic hydrogen production from water splitting

scientific article published on 27 September 2018

Control of photodissociation of the NaI molecule via pulse chirping

scientific article published on 01 August 2018

Density functional theory investigation of product distribution following reaction of acrylonitrile on diamond (001)-2 x 1 surface.

scientific article published in November 2006

Density functional theory studies of Au(n)+ (CH(3)OH)m (n = 3, 5, m = 1-5) complexes.

scientific article published in February 2009

Efficient green phosphor realized by Ce→Tb energy transfer in LiSc(PO) for ultraviolet white light-emitting diodes

scientific article published on 01 October 2018

First-principles investigation on the thermoelectric performance of half-Heusler compound CuLiX(X=Se, Te)

scientific article published on 18 November 2020

First-principles study of structure and quantum transport properties of C20 fullerene.

scientific article published in July 2009

Geometric phase effects on photodissociation dynamics of diatomics

scientific article published on 01 December 2018

High thermoelectric figure of merit and thermopower of HfTe<sub>5</sub> at room temperature

scientific article published on 06 April 2020

Identifying the phase behavior of biodegradable poly(hexamethylene succinate-co-hexamethylene adipate) copolymers with FTIR

scientific article published on 01 March 2009

Interactions of M(z)-X complexes (M = Cu, Ag, and Au; X = He, Ne, and Ar; and z = ±1)

scientific article published on 01 January 2011

Isotopic effects on stereodynamics for the two reactions: H + LiH+(v = 0, j = 0) --> H2 + Li+ and H+ + LiH(v = 0, j = 0) --> H2(+) + Li

scientific article published on 25 May 2010

Non-Gaussian noise optimized spiking activity of Hodgkin-Huxley neurons on random complex networks.

scientific article published on 10 July 2009

Ordering spatiotemporal chaos in complex thermosensitive neuron networks

scientific article published on 28 April 2006

Photocatalytic water splitting for hydrogen generation driven by tetragonal, trigonal, hexagonal and cubic LiCoO2 and visible light

scientific article published on 11 May 2020

Potential color tunable Sr3LaNa(PO4)3F:Eu2+/Tb3+/Mn2+ phosphor induced by Eu2+ → Tb3+ and Tb3+ → Mn2+ energy transfer for WLEDs.

scientific article published on 30 August 2017

Quasi-classical trajectory study of the Ne + H2(+) → NeH(+) + H reaction based on global potential energy surface

scientific article published on 15 February 2011

Remarkably High Thermoelectric Efficiencies of the Half-Heusler Compounds BXGa (X = Be, Mg, and Ca)

scientific article published on 22 January 2020

Spectroscopic parameters of the low-lying electronic states and laser cooling feasibility of NH+ cation and NH- anion

scientific article

Structural, electronic, and magnetic properties of Fe3C2 cluster.

scientific article published in May 2008

Surface functional group modification induced partial Fermi level pinning and ohmic contact at borophene-MoS2 interfaces

scientific article published on 19 August 2020

The ground and low-lying excited states and feasibility of laser cooling for GaH+ and InH+ cations.

scientific article published on 5 December 2017

The low-lying electronic states and optical schemes for the laser cooling of the BH+ and BH- ions.

scientific article

The molecular structure and vibrational spectra of corrolazine metal complexes (CzM) by density functional theory.

scientific article published on 10 March 2006

The stereodynamics of the two reactions: H + LiH+ (v = 0, j = 0) --> H2 + Li+ and H+ + LiH (v = 0, j = 0) --> H2(+) + Li

scientific article published on 28 September 2009

The structures and luminescence properties of Sr4Gd3Na3(PO4)6F2:Ce3+,Tb3+ green phosphors with zero-thermal quenching of Tb3+ for WLEDs

scientific article published on 01 January 2020

Theoretical Study ofN-Demethylation of SubstitutedN,N-Dimethylanilines by Cytochrome P450: The Mechanistic Significance of Kinetic Isotope Effect Profiles

scientific article published on 09 June 2007

Theoretical characteristics of the bound states of M-X complexes (M = Cu, Ag, and Au, and X = He, Ne, and Ar)

scientific article published on 01 December 2009

Theoretical insight on hybrid nanocomposites of graphene quantum dot and carbazole-carbazole dyes as an efficient sensitizer of DSSC

scientific article published on 26 February 2019

Theoretical studies on the feasibility of the hybrid nanocomposites of graphene quantum dot and phenoxazine-based dyes as an efficient sensitizer for dye-sensitized solar cells

scientific article published on 06 August 2018

Theoretical studies on the possible sensitizers of DSSC: Nanocomposites of graphene quantum dot hybrid phthalocyanine/tetrabenzoporphyrin/tetrabenzotriazaporphyrins/cis-tetrabenzodiazaporphyrins/tetrabenzomonoazaporphyrins and their Cu-metallated ma

scientific article published on 31 January 2018

Theoretical study on the low-lying excited electronic states and laser cooling feasibility of CuH molecule

scientific article published on 21 December 2018

Theoretical study on the structure and formation mechanism of [C6H5Mm]- (M=Ag, Au; m=1-3).

scientific article published in July 2008

Two-dimensional AuSe/SnSe heterostructure for solar photocatalytic hydrogen evolution reaction with Z-scheme

scientific article published in 2022

ZnCdO2 monolayer - A complex 2D structure of ZnO and CdO monolayers for photocatalytic water splitting driven by visible-light

scientific article published on 13 January 2020

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