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Catalysis

Working Paper

Rate-Limiting Reaction of Dehydrogenative Dimerization of Ethanol to Ethyl Acetate and Hydrogen on Cu, Cu2, and Cu13 Clusters: Size Dependence

Kang Sun, Zhipeng Wu, Ruitao Wu, Yifei Chen, Minhua Zhang, Lichang Wang

Version 1 posted 25 January 2023

136

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Analytical Chemistry

Working Paper

DFT studies of binding of fluoride anions with silyl-fluorescein derivatives

Krishanthi Weerasinghe, Lichang Wang

Version 1 posted 18 May 2023

79

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Nanoscience

Working Paper

Osmotic pressure induced toxicity by aggregation of citrate-coated silver nanoparticles inside HepG2 cells

Pamela Ubaldo, Henok Abshiro, Franklin Cavender, Jay Means, Dale Hales, Lichang Wang

Version 1 posted 29 November 2022

87

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Materials Science

Working Paper

Comparison of Polarization Energies from B3LYP and MP2 Parameterizations: Spherical Benzene and Anthracene Clusters

Thomas Testoff, Lichang Wang

Version 1 posted 25 May 2023

147

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Energy

Working Paper

Electron Acceptability of Cyclopenta-Fused Polycyclic Aromatic Hydrocarbons: Effect of One Electron

Pamela Ubaldo, Nathan Colley, Kyle Plunkett, Lichang Wang

Version 1 posted 17 November 2022

239

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2

Citations

Physical Chemistry

Working Paper

Effects of Intramolecular Group and Solvent on Vibrational Coupling Modes and Strengths of Fermi Resonances in Aryl Azides: A DFT Study of 4-Azidotolune and 4-Azido-N-Phenylmaleimide

Sathya Perera, Tenyu Aikawa, Sarah Shaner, Sean Moran, Lichang Wang

Version 1 posted 06 October 2022

137

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1

Citations

Catalysis

Working Paper

Effects of Alloyed Metal of Cu3X(111) on Controlling O-H and α-C-H Bond Cleavages for Ethanol Dehydrogenation (X=Zr, In, Ag, Au)

Han Xu, Ruitao Wu, Minhua Zhang, Bei Miao, Yifei Chen, Lichang Wang

Version 1 posted 09 January 2023

113

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Materials Chemistry

Working Paper

DFT and TDDFT Studies of Silicon Analogs of Fluorescein Derivatives

Krishanthi Weerasinghe, Lichang Wang

Version 1 posted 07 March 2023

107

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Catalysis

Working Paper

Substrate effect on the structure and properties of Cu clusters supported on ZnO

Chasity Love-Nkansah, Peshala Jayamaha, Lichang Wang

Version 1 posted 26 April 2023

87

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Materials Science

Working Paper

Influence of Aggregate Shape and Exciton Location on Polarization Energy of Benzene and Anthracene Aggregates

Thomas Testoff, Lichang Wang

Version 1 posted 18 July 2023

98

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Refine Search

29 results in Lichang Wang in Authors: Lichang Wang

Rate-Limiting Reaction of Dehydrogenative Dimerization of Ethanol to Ethyl Acetate and Hydrogen on Cu, Cu2, and Cu13 Clusters: Size Dependence

DFT studies of binding of fluoride anions with silyl-fluorescein derivatives

Osmotic pressure induced toxicity by aggregation of citrate-coated silver nanoparticles inside HepG2 cells

Comparison of Polarization Energies from B3LYP and MP2 Parameterizations: Spherical Benzene and Anthracene Clusters

Electron Acceptability of Cyclopenta-Fused Polycyclic Aromatic Hydrocarbons: Effect of One Electron

Effects of Intramolecular Group and Solvent on Vibrational Coupling Modes and Strengths of Fermi Resonances in Aryl Azides: A DFT Study of 4-Azidotolune and 4-Azido-N-Phenylmaleimide

Effects of Alloyed Metal of Cu3X(111) on Controlling O-H and α-C-H Bond Cleavages for Ethanol Dehydrogenation (X=Zr, In, Ag, Au)

DFT and TDDFT Studies of Silicon Analogs of Fluorescein Derivatives

Substrate effect on the structure and properties of Cu clusters supported on ZnO

Influence of Aggregate Shape and Exciton Location on Polarization Energy of Benzene and Anthracene Aggregates

29 results in Authors: Lichang Wang