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Theoretical study of electron tunneling through the spiral molecule junctions along spiral paths

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (5), p.3765-3771

2016

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New insights into two-photon absorption properties of functionalized aza-BODIPY dyes at telecommunication wavelengths: a theoretical study

Physical chemistry chemical physics : PCCP, 2013-04, Vol.15 (13), p.4666-4676

2013

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A Robust Yellow-Emitting Metallophosphor with Electron-Injection/-Transporting Traits for Highly Efficient White Organic Light-Emitting Diodes

Chemphyschem, 2011-10, Vol.12 (15), p.2836-2843

2011

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Molecular design and theoretical investigation into one- and two-photon absorption properties of two series of cyclometalated platinum (II) complexes

Science China. Chemistry, 2012-07, Vol.55 (7), p.1405-1412

2012

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Structural, Electronic and Optical Properties of Multifunctional Iridium(III) and Platinum(II) Metallophosphors for Organic Light-Emitting Diodes

Chinese journal of chemistry, 2012-10, Vol.30 (10), p.2431-2439

2012

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DFT/TDDFT Studies on the Electronic Structures and Spectral Properties of Carbazole-based Blue Light-emitting Dendrimers

Chinese journal of chemistry, 2011-11, Vol.29 (11), p.2263-2270

李磊姣封继康任爱民孙家钟

2011

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Star-shaped Organic Molecules That Comprise a 1,3,5-Trisubstituted Benzene Core and Three Oligoaryleneethynylene Arms as Light-emitting Materials

Chinese journal of chemistry, 2010-02, Vol.28 (2), p.199-207

2010

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Theoretical studies of electronic structures, absorption and emission spectra in cyclometalated phenylpyridine Ir(III) complex and its derivatives using density functional theory

Optical materials, 2006-11, Vol.29 (2), p.231-238

2006

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Implementation of Outstanding Electronic Transport in Polar Covalent Boron Nitride Atomic Chains: another Extraordinary Odd-Even Behaviour

Scientific reports, 2016-05, Vol.6 (1), p.26389-26389, Article 26389

2016

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Theoretical Investigation on the One- and Two-photon Absorption Properties of Porphyrin-thiophene Chromophores

Chinese journal of chemistry, 2009-07, Vol.27 (7), p.1269-1279

2009

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Theoretical study of 2,5-diphenyl-1,4-distyrylbenzene (A model compound of PPV): A comparison of the electronic structure and photophysical properties of cis- and trans-isomers

Chemical physics, 2008-04, Vol.345 (1), p.23-31

2008

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Theoretical study of electron tunneling through the spiral molecule junctions along spiral pathsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06726j

2016-01

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Quantum chemical calculations on the spectra and nonlinear third-order optical susceptibility of C60

Chemical physics letters, 1993-03, Vol.203 (5-6), p.560-564

1993

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Photochromism of Bis Schiff Base N,N ′-Bis(Salicylidene)-1,2-Cyclohexanediamine

Chemistry letters, 2000-03, Vol.29 (3), p.268-269

2000

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Theoretical studies on the structure and electronic spectra of some isomeric fullerene derivatives C60On (n=2, 3)

International journal of quantum chemistry, 2000, Vol.76 (1), p.23-43

2000

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Molecular design and theoretical investigation into one- and two-photon absorption properties of two series of cyclometalated platinum （II） complexes

中国科学：化学英文版, 2012, Vol.55 (7), p.1405-1412

YANG ZhaoDi ZHANG GuiLing FENG JiKang REN AiMin

2012

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Study on Trifluoroacetic Acid Adsorbed on TiO 2 Surface with Density Functional Theory

Hua hsüeh hsüeh pao, 2012, Vol.70 (19), p.2049

2012

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Synthesis and Photophysical Properties of π-Conjugated Polymers Incorporated with Phosphorescent Rhenium(I) Chromophores in the Backbones

The journal of physical chemistry. B, 2004-09, Vol.108 (35), p.13185-13190

2004

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Synthesis of nonlinear optical polyimides containing azodiamine derivative chromophores and their electrooptic and thermal properties

Journal of polymer science. Part A, Polymer chemistry, 2002-07, Vol.40 (14), p.2478-2486

2002

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Calculations on the spectra and nonlinear third-order optical susceptibility of c70

International journal of quantum chemistry, 1994-10, Vol.52 (3), p.673-680

1994

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Theoretical study of ipso attack in aromatic nitration

Journal of organic chemistry, 1986-11, Vol.51 (24), p.4531-4536

1986

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Quantum chemical calculations on buckminsterfullerene and related structures. II. The electronic structure and spectra of some Cn and CnCa2+ cages

International journal of quantum chemistry, 1991-03, Vol.39 (3), p.331-344

1991

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Semi-empirical calculations on the BN substituted fullerenes C60−2x(BN)x (x=1–3) — isoelectronic equivalents of C60

Journal of molecular structure. Theochem, 1999-06, Vol.466 (1-3), p.127-135

1999

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Theoretical predictions of the structures and electronic spectra of C60NH 2+ with comparisons with the isoelectronic molecules C60O and C60CH2

International journal of quantum chemistry, 1995-07, Vol.55 (1), p.35-45

1995

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An ab initio study of C40, C40+, C40H4, Nb+@C40, Nb+C39 and Nb+@C40H4 clusters

Chemical physics letters, 1999-08, Vol.309 (5-6), p.344-350

1999

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Theoretical study of electron tunneling through the spiral molecule junctions along spiral paths

New insights into two-photon absorption properties of functionalized aza-BODIPY dyes at telecommunication wavelengths: a theoretical study

A Robust Yellow-Emitting Metallophosphor with Electron-Injection/-Transporting Traits for Highly Efficient White Organic Light-Emitting Diodes

Molecular design and theoretical investigation into one- and two-photon absorption properties of two series of cyclometalated platinum (II) complexes

Structural, Electronic and Optical Properties of Multifunctional Iridium(III) and Platinum(II) Metallophosphors for Organic Light-Emitting Diodes

DFT/TDDFT Studies on the Electronic Structures and Spectral Properties of Carbazole-based Blue Light-emitting Dendrimers

Star-shaped Organic Molecules That Comprise a 1,3,5-Trisubstituted Benzene Core and Three Oligoaryleneethynylene Arms as Light-emitting Materials

Theoretical studies of electronic structures, absorption and emission spectra in cyclometalated phenylpyridine Ir(III) complex and its derivatives using density functional theory

Implementation of Outstanding Electronic Transport in Polar Covalent Boron Nitride Atomic Chains: another Extraordinary Odd-Even Behaviour

Theoretical Investigation on the One- and Two-photon Absorption Properties of Porphyrin-thiophene Chromophores

Theoretical study of 2,5-diphenyl-1,4-distyrylbenzene (A model compound of PPV): A comparison of the electronic structure and photophysical properties of cis- and trans-isomers

Theoretical study of electron tunneling through the spiral molecule junctions along spiral pathsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06726j

Quantum chemical calculations on the spectra and nonlinear third-order optical susceptibility of C60

Photochromism of Bis Schiff Base N,N ′-Bis(Salicylidene)-1,2-Cyclohexanediamine

Theoretical studies on the structure and electronic spectra of some isomeric fullerene derivatives C60On (n=2, 3)

Molecular design and theoretical investigation into one- and two-photon absorption properties of two series of cyclometalated platinum （II） complexes

Study on Trifluoroacetic Acid Adsorbed on TiO 2 Surface with Density Functional Theory

Synthesis and Photophysical Properties of π-Conjugated Polymers Incorporated with Phosphorescent Rhenium(I) Chromophores in the Backbones

Synthesis of nonlinear optical polyimides containing azodiamine derivative chromophores and their electrooptic and thermal properties

Calculations on the spectra and nonlinear third-order optical susceptibility of c70

Theoretical study of ipso attack in aromatic nitration

Quantum chemical calculations on buckminsterfullerene and related structures. II. The electronic structure and spectra of some Cn and CnCa2+ cages

Semi-empirical calculations on the BN substituted fullerenes C60−2x(BN)x (x=1–3) — isoelectronic equivalents of C60

Theoretical predictions of the structures and electronic spectra of C60NH 2+ with comparisons with the isoelectronic molecules C60O and C60CH2

An ab initio study of C40, C40+, C40H4, Nb+@C40, Nb+C39 and Nb+@C40H4 clusters

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