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Analytical Chemistry

Working Paper

Comparative DFT studies of UV-vis and fluorescence spectra of diphenylamino-nitro-trans-stilbene

Junpeng Zhuang, Lichang Wang

Version 1 posted 13 June 2023

124

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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 Chemistry

Working Paper

Novel superhard tetragonal BCN from crystal chemistry and first principles

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 11 May 2022

156

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Materials Science

Review

Bioceramics for medical applications: a computational view

Ritambhara Dash, Abhay Kumar Rajak, Ramagiri Praveen Kumar, Parameshwar Kommu, Shruti Sharma, Mukesh Gurjar, Arnab Bhattacharyya

Version 1 posted 17 October 2022

251

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Energy

Working Paper

DFT studies of perylenetetracarboxylic dianhydride and perylene diimide derivatives

Junpeng Zhuang, Lichang Wang

Version 1 posted 23 February 2023

252

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Analytical Chemistry

Working Paper

DFT studies of fluorescence probe for selective detection of Zn2+ in the presence of Ca2+, Mg2+, Cu2+, and Hg2+ ions

Krishanthi Weerasinghe, Lichang Wang

Version 2 posted 08 May 2023

140

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Catalysis

Working Paper

Optimization of Pd in Au-Pd nanoparticles for the hydrogenation of alkynes

Alexandre Foucher, Hio Tong Ngan, Tanya Shirman, Amanda Filie, Kaining Duanmu, Michael Aizenberg, Robert J. Madix, Cynthia M. Friend, Joanna Aizenberg, Philippe Sautet, Eric A. Stach

Version 1 posted 13 January 2023

256

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1

Citations

Analytical Chemistry

Working Paper

DFT studies of proton transfer of 2, 4-dihydroxybenzoic acid derivatives

Chelsea Bridgmohan, Lichang Wang

Version 1 posted 21 April 2023

125

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Nanoscience

Working Paper

Theoretical Studies of Silver Clusters

Jennifer Yukna, Lichang Wang

Version 1 posted 07 December 2022

115

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Catalysis

Review

Tuning Selectivity in the Direct Conversion of Methane to Methanol: Bimetallic Synergistic Effects on the Cleavage of C-H and O-H Bonds over NiCu/CeO2 Catalysts

Pablo G. Lustemberg, Sanjaya D. Senanayake, José A. Rodriguez, M. Verónica Ganduglia-Pirovano

Version 1 posted 06 June 2022

158

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Refine Search

61 results in NCA, OCA, DFT, Amino acid, Acid scavenger in Keywords: NCA, OCA, DFT, Amino acid, Acid scavenger

Comparative DFT studies of UV-vis and fluorescence spectra of diphenylamino-nitro-trans-stilbene

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

Novel superhard tetragonal BCN from crystal chemistry and first principles

Bioceramics for medical applications: a computational view

DFT studies of perylenetetracarboxylic dianhydride and perylene diimide derivatives

DFT studies of fluorescence probe for selective detection of Zn2+ in the presence of Ca2+, Mg2+, Cu2+, and Hg2+ ions

Optimization of Pd in Au-Pd nanoparticles for the hydrogenation of alkynes

DFT studies of proton transfer of 2, 4-dihydroxybenzoic acid derivatives

Theoretical Studies of Silver Clusters

Tuning Selectivity in the Direct Conversion of Methane to Methanol: Bimetallic Synergistic Effects on the Cleavage of C-H and O-H Bonds over NiCu/CeO2 Catalysts

61 results in Keywords: NCA, OCA, DFT, Amino acid, Acid scavenger