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Molecular Dynamics Simulation of Pyrene Solubilized in a Sodium Dodecyl Sulfate Micelle

Langmuir, 2012-03, Vol.28 (11), p.4931-4938

2012

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Theoretical Study of Adsorption of Chlorinated Phenol Pollutants on Co-Doped Boron Nitride Nanotubes

Wuli huaxue xuebao, 2015, Vol.31 (5), p.877-884

2015

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Electron Delocalization and Charge Transfer in Polypeptide Chains

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-10, Vol.113 (39), p.10521-10526

2009

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Molecular Dynamics Study of the Effect of Calcium Ions on the Monolayer of SDC and SDSn Surfactants at the Vapor/Liquid Interface

Langmuir, 2011-05, Vol.27 (10), p.5762-5771

2011

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Effect of Ca2+ and Mg2+ Ions on Surfactant Solutions Investigated by Molecular Dynamics Simulation

Langmuir, 2010-07, Vol.26 (13), p.10448-10459

2010

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Magnetic Interactions in Two Heterobridged Dinuclear Copper(II) Complexes: Orbital Complementarity or Countercomplementarity?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (36), p.8418-8422

2008

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Adsorption of histidine and histidine-containing peptides on Au(1 1 1): A molecular dynamics study

Colloids and surfaces. A, Physicochemical and engineering aspects, 2011-05, Vol.380 (1), p.135-142

2011

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Stereochemical Investigation of Macrocyclic Bisbibenzyls with a Stereogenic Center at One of the Ethylene Bridges

Helvetica chimica acta, 2011-11, Vol.94 (11), p.2077-2086

2011

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Asymmetric Michael Addition between Nitroolefins and Sulfur Ylides Catalyzed by a Thiourea Organocatalyst

Wuli huaxue xuebao, 2012-03, Vol.28 (3), p.561-566

2012

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Molecular Dynamics Simulation of Sodium Dodecyl Benzene Sulfonate Aggregation on Silica Surface

Wuli huaxue xuebao, 2009-06, Vol.25 (6), p.1053-1058

2009

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Microscopic Wetting of Self-Assembled Monolayers with Different Surfaces: A Combined Molecular Dynamics and Quantum Mechanics Study

Langmuir, 2011-07, Vol.27 (14), p.8611-8620

2011

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Selectivity of [2+2] C＝O Cycloaddition and α -H Cleavage of Carbonyl Compounds on Si(100) Surface

Wuli huaxue xuebao, 2012, Vol.28 (8), p.1849-1853

2012

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Mechanism Study of the Gold-Catalyzed Cycloisomerization of α-Aminoallenes: Oxidation State of Active Species and Influence of Counterion

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-04, Vol.114 (13), p.4689-4696

2010

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Molecular Dynamics Simulation of Anionic Surfactant Aggregation at the Oil/Water Interface

Wuli huaxue xuebao, 2009, Vol.25 (1), p.6-12

2009

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Theoretical Elucidation on the Antioxidant Mechanism of Curcumin: A DFT Study

Organic letters, 2002-08, Vol.4 (17), p.2909-2911

2002

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A Comparison of Transition States During H-Atom Abstraction of Monophenols and Catechol by Methyl Radical

European journal of organic chemistry, 2004-01, Vol.2004 (1), p.120-128

2004

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Theoretical study of the adsorption of pentachlorophenol on the pristine and Fe-doped boron nitride nanotubes

Journal of molecular modeling, 2014-02, Vol.20 (2), p.2093, Article 2093

2014

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Surface behavior of a model surfactant: A theoretical simulation study

Journal of colloid and interface science, 2010-08, Vol.348 (1), p.159-166

2010

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Theoretical Investigation on the Chiral Diamine-Catalyzed Epoxidation of Cyclic Enones: Mechanism and Effects of Cocatalyst

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-02, Vol.116 (4), p.1251-1260

2012

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Theoretical Investigation on Triagonal Symmetry Copper Trimers: Magneto-Structural Correlation and Spin Frustration

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-10, Vol.113 (39), p.10534-10539

2009

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Theoretical study on the magneto-structural correlation in imidazolate-bridged Cu(ii) binuclear complexes

New journal of chemistry, 2004, Vol.28 (2), p.270

2004

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Insights into the control of magnetic coupling in the Mn4(III) complex: from ferromagnetic to antiferromagnetic

Dalton transactions : an international journal of inorganic chemistry, 2010-11, Vol.39 (42), p.10249-10255

2010

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Experimental and theoretical evaluation on the microenvironmental effect of dimethyl sulfoxide on adrenaline in acid aqueous solution

Journal of molecular structure, 2010-12, Vol.984 (1), p.402-408

2010

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Theoretical study on the antioxidant activity of curcumin

Chinese journal of chemistry, 2004-08, Vol.22 (8), p.827-830

2004

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A Density Functional Theory Study on the Ring-Opening Polymerization of D-Lactide Catalyzed by a Bifunctional-Thiourea Catalyst

Australian journal of chemistry, 2009-01, Vol.62 (2), p.157

2009

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Molecular Dynamics Simulation of Pyrene Solubilized in a Sodium Dodecyl Sulfate Micelle

Theoretical Study of Adsorption of Chlorinated Phenol Pollutants on Co-Doped Boron Nitride Nanotubes

Electron Delocalization and Charge Transfer in Polypeptide Chains

Molecular Dynamics Study of the Effect of Calcium Ions on the Monolayer of SDC and SDSn Surfactants at the Vapor/Liquid Interface

Effect of Ca2+ and Mg2+ Ions on Surfactant Solutions Investigated by Molecular Dynamics Simulation

Magnetic Interactions in Two Heterobridged Dinuclear Copper(II) Complexes: Orbital Complementarity or Countercomplementarity?

Adsorption of histidine and histidine-containing peptides on Au(1 1 1): A molecular dynamics study

Stereochemical Investigation of Macrocyclic Bisbibenzyls with a Stereogenic Center at One of the Ethylene Bridges

Asymmetric Michael Addition between Nitroolefins and Sulfur Ylides Catalyzed by a Thiourea Organocatalyst

Molecular Dynamics Simulation of Sodium Dodecyl Benzene Sulfonate Aggregation on Silica Surface

Microscopic Wetting of Self-Assembled Monolayers with Different Surfaces: A Combined Molecular Dynamics and Quantum Mechanics Study

Selectivity of [2+2] C＝O Cycloaddition and α -H Cleavage of Carbonyl Compounds on Si(100) Surface

Mechanism Study of the Gold-Catalyzed Cycloisomerization of α-Aminoallenes: Oxidation State of Active Species and Influence of Counterion

Molecular Dynamics Simulation of Anionic Surfactant Aggregation at the Oil/Water Interface

Theoretical Elucidation on the Antioxidant Mechanism of Curcumin: A DFT Study

A Comparison of Transition States During H-Atom Abstraction of Monophenols and Catechol by Methyl Radical

Theoretical study of the adsorption of pentachlorophenol on the pristine and Fe-doped boron nitride nanotubes

Surface behavior of a model surfactant: A theoretical simulation study

Theoretical Investigation on the Chiral Diamine-Catalyzed Epoxidation of Cyclic Enones: Mechanism and Effects of Cocatalyst

Theoretical Investigation on Triagonal Symmetry Copper Trimers: Magneto-Structural Correlation and Spin Frustration

Theoretical study on the magneto-structural correlation in imidazolate-bridged Cu(ii) binuclear complexes

Insights into the control of magnetic coupling in the Mn4(III) complex: from ferromagnetic to antiferromagnetic

Experimental and theoretical evaluation on the microenvironmental effect of dimethyl sulfoxide on adrenaline in acid aqueous solution

Theoretical study on the antioxidant activity of curcumin

A Density Functional Theory Study on the Ring-Opening Polymerization of D-Lactide Catalyzed by a Bifunctional-Thiourea Catalyst

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