Search

Theoretical and Computational Chemistry

Working Paper

Electron Delocalization in Single-Layer Phthalocyanine-Based Covalent Organic Frameworks: A First Principle Study

Hung Pham, Dong Q. Le, Nguyen-Nguyen Pham-Tran, Yoshiyuki Kawazoe, Duc Nguyen-Manh

Version 1 posted 01 July 2019

506

Downloads

Biological and Medicinal Chemistry

Working Paper

Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease

Son Tung Ngo, Ngoc Quynh Anh Pham, Ly Le, Duc-Hung Pham, Van Vu

Version 2 posted 02 June 2020

1,598

Downloads

Theoretical and Computational Chemistry

Working Paper

Synergy of Machine Learning and Density Functional Theory Calculations for Predicting Experimental Lewis Base Affinity and Lewis Polybase Binding Atoms

Hieu Huynh, Khanh Le, Linh Vu, Trang Nguyen, Matthew Holcomb, Stefano Forli, Hung Phan

Version 2 posted 01 February 2024

492

Downloads

Organic Chemistry

Working Paper

Ensemble Effects of Explicit Solvation on Allylic Oxidation

Hung Le, Mariano Guagliardo, Anne Gorden, Aurora Clark

Version 2 posted 09 March 2021

450

Downloads

Biological and Medicinal Chemistry

Working Paper

Assessing Potential Inhibitors for SARS-CoV-2 Main Protease from Available Drugs using Free Energy Perturbation Simulations

Son Tung Ngo, Hung Minh Nguyen, Le Thi Thuy Huong, Pham Minh Quan, Vi Khanh Truong, Nguyen Thanh Tung, Van Vu

Version 2 posted 21 October 2020

817

Downloads

Theoretical and Computational Chemistry

Working Paper

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identication of Small Molecule Solution-Phase Reactions

Hung Le, Sushant Kumar, Nathan May, Ernesto Martinez-Baez, Ravishankar Sundararaman, Bala Krishnamoorthy, Aurora Clark

Version 1 posted 21 September 2021

343

Downloads

Inorganic Chemistry

Working Paper

Exploration of glassy state in Prussian blue analogues

Nattapol Ma, Ryo Ohtani, Hung M. Le, Ryuta Ishikawa, Satoshi Kawata, Sareeya Bureekaew, Soracha Kosasang, Yoshiyuki Kawazoe, Koji Ohara, Satoshi Horike

Version 1 posted 01 December 2021

669

Downloads

Organic Chemistry

Review

Methanol Activation: Strategies for Utilization of Methanol as C1 Building Block in Sustainable Organic Synthesis

Hung-Vu Tran, Tuan Thanh Dang, Nguyen Hoang Nguyen, Huyen Thu Tran, Dung Tien Nguyen, Dang Van Do, Thanh Son Le, Thuong Hanh Ngo, Yawa K. E. Late, Prince Nana Amaniampong, Eugene Fletcher, Tran Quang Hung, Yuran Cheng, Tuan Khoa Nguyen, Tuan Sang Tran, Jun Zhang, Hongjie An, Nam-Trung Nguyen, Quang Thang Trinh

Version 1 posted 18 October 2024

490

Downloads

Analytical Chemistry

Working Paper

Analytical method development of Bifenthrin in dried meat-based foods using gas chromatography coupled to mass spectrometry

Trung Quang Nguyen, Nhan Van Le, Tung Ngoc Nguyen, Minh Ngoc Truong, Thao Thi Phuong Pham, Thao Thanh Nguyen, Duc Hung Pham, Minh Quang Bui, Minh Huynh Nhat Nguyen

Version 1 posted 03 June 2025

38

Downloads

Refine Search

9 results in Hung Le in Authors: Hung Le

Electron Delocalization in Single-Layer Phthalocyanine-Based Covalent Organic Frameworks: A First Principle Study

Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease

Synergy of Machine Learning and Density Functional Theory Calculations for Predicting Experimental Lewis Base Affinity and Lewis Polybase Binding Atoms

Ensemble Effects of Explicit Solvation on Allylic Oxidation

Assessing Potential Inhibitors for SARS-CoV-2 Main Protease from Available Drugs using Free Energy Perturbation Simulations

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identi cation of Small Molecule Solution-Phase Reactions

Exploration of glassy state in Prussian blue analogues

Methanol Activation: Strategies for Utilization of Methanol as C1 Building Block in Sustainable Organic Synthesis

Analytical method development of Bifenthrin in dried meat-based foods using gas chromatography coupled to mass spectrometry

9 results in Authors: Hung Le

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identication of Small Molecule Solution-Phase Reactions