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Duy Le

6 results in Authors: Duy Le

Theoretical and Computational Chemistry

Working Paper

Oxidation States of Binary Oxides from Data Analytics of the Electronic Structure

Sergei Posysaev, Olga Miroshnichenko, Matti Alatalo, Duy Le, Talat S. Rahman

Version 1 posted 22 October 2018

559

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Catalysis

Working Paper

Towards Higher Alcohol Formation using a single-layer MoS2 activated Au on Silica: Methanol Carbonylation to Acetaldehyde

Kortney Almeida, Katerina L. Chagoya, Alan Felix, Tao Jiang, Duy Le, Takat B. Rawal, Prescott E. Evans, Michelle Wurch, Koichi Yamaguchi, Peter A. Dowben, Ludwig Bartels, Talat S. Rahman, Richard G. Blair

Version 1 posted 29 April 2019

554

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Physical Chemistry

Working Paper

Antioxidant and UV-radiation absorption activity of aaptamine derivatives – Potential application for natural organic sunscreens

Thi Le Anh Nguyen, Thi Hoai Nam Doan, Dinh Hieu Truong, Nguyen Thi Ai Nhung, Duong Tuan Quang, Dorra Khiri, Florent Louis, Abderrahman El Bakali, Sonia Taamalli, Duy Quang Dao

Version 2 posted 27 May 2021

448

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Theoretical and Computational Chemistry

Working Paper

Syngas Molecules as Probes for Defects In 2D Hexagonal Boron Nitride: their Adsorption and Vibrations

Tao Jiang, Duy Le, Takat B. Rawal, Talat S. Rahman

Version 1 posted 30 November 2020

294

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Chemical Education

Working Paper

LLMs' Capabilities at the High School Level in Chemistry: Cases of ChatGPT and Microsoft Bing Chat

Dao Xuan-Quy, Le Ngoc-Bich, Vo The-Duy, Ngo Bac-Bien, Phan Xuan-Dung

Version 1 posted 20 June 2023

515

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Citations

Catalysis

Working Paper

An Explicit-Implicit Hybrid Solvent Model for Grand Canonical Simulations of the Electrochemical Environment

Duy Le

Version 1 posted 27 March 2023

634

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6 results in Duy Le in Authors: Duy Le

Oxidation States of Binary Oxides from Data Analytics of the Electronic Structure

Towards Higher Alcohol Formation using a single-layer MoS2 activated Au on Silica: Methanol Carbonylation to Acetaldehyde

Antioxidant and UV-radiation absorption activity of aaptamine derivatives – Potential application for natural organic sunscreens

Syngas Molecules as Probes for Defects In 2D Hexagonal Boron Nitride: their Adsorption and Vibrations

LLMs' Capabilities at the High School Level in Chemistry: Cases of ChatGPT and Microsoft Bing Chat

An Explicit-Implicit Hybrid Solvent Model for Grand Canonical Simulations of the Electrochemical Environment

6 results in Authors: Duy Le