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ACS Applied Materials & Interfaces|January 30, 2025
High Areal Loading Silicon Nanoparticle-Based Lithium-Ion BatteriesArun Thapa, Hongwei GaoEnzyme and Microbial Technology|November 18, 2025
Modulation of ADH activity in Zymomonas mobilis provides significant flux redirection away from ethanolArun Thapa, Ngangom Pravina Devi, Ashish MisraPhytomedicine : International Journal of Phytotherapy and Phytopharmacology|February 10, 2018
Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese medicine databaseHongwei GaoSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 6, 2011
Theoretical studies of molecular structures and properties of platinum (II) antitumor drugsHongwei GaoJournal of Biomolecular Structure & Dynamics|April 18, 2014
Structural insight into the binding interactions of modeled structure of Arabidopsis thaliana urease with urea: an in silico studyVinod Kumar Yata, Arun Thapa, Venkata Satish Kumar MattaparthiSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|November 5, 2011
Quantum chemistry study of molecular structure and vibrational spectrum of naproxenLekun Liu, Hongwei GaoSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 11, 2021
Density functional study of trans,trans,trans-[Pt(N<sub>3</sub>)<sub>2</sub>(OH)<sub>2</sub>(Py)<sub>2</sub>] on molecular structure and vibrational spectroscopyMeilin Mu, Hongwei GaoFrontiers in Oncology|January 27, 2022
DFT Study on the Substituent Effect of Anticancer Picoline-Diazido-Pt(IV) CompoundsMeilin Mu, Hongwei GaoSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 14, 2012
First principles study on the molecular structure and vibrational spectra of ketoprofenLekun Liu, Hongwei GaoThe Journal of Physical Chemistry. B|February 14, 2017
Influence of a ZrO<sub>2</sub> Support and Its Surface Structures on the Stability and Nucleation of Pt<sub>n</sub> (n = 1-5) Clusters: A Density Functional Theory StudyYanxin Wang, Hongwei GaoPageof 40