Search

Theoretical and Computational Chemistry

Working Paper

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

WooSeok Jeong, Samuel J. Stoneburner, Daniel King, Ruye Li, Andrew Walker, Roland Lindh, Laura Gagliardi

Version 1 posted 20 December 2019

845

Downloads

Physical Chemistry

Working Paper

Proton-coupled Electron Transfer in a Ruthenium (II) Bipyrimidine Complex in its Ground and Excited Electronic States

Matthew Drummer, Ravindra Weerasooriya, Nikita Gupta, Erik Askins, Xiaolin Liu, Andrew Valentine, Xiaosong Li, Ksenija Glusac

Version 2 posted 05 April 2022

315

Downloads

Biological and Medicinal Chemistry

Working Paper

A Unified System for Molecular Property Predictions: Oloren ChemEngine and its Applications

David Huang, Sauhaarda (Raunak) Chowdhuri, Andrew Li, Alex Li, Ayush Agrawal, Kameron Gano, Andy Zhu

Version 1 posted 20 October 2022

673

Downloads

2

Citations

Catalysis

Working Paper

Sustainable Electrosynthesis of Cyclohexanone Oxime through Nitrate Reduction on a Zn-Cu Alloy Catalyst

Jonathan Sharp, Anna Ciotti, Hayley Andrews, Shaktiswaran Udayasurian, Max García-Melchor, Tengfei Li

Version 1 posted 20 December 2023

187

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Metal-Responsive Regulation of Enzyme Catalysis using Genetically Encoded Chemical Switches

Yasmine S. Zubi, Kosuke Seki, Ying Li, Andrew Hunt, Bingqing Liu, Benoît Roux, Michael C. Jewett, Jared C. Lewis

Version 1 posted 19 August 2021

582

Downloads

Materials Chemistry

Working Paper

B,N-Embedded Double Hetero[7]helicenes with Strong Chiroptical Responses in the Visible Light Region

Ji-Kun Li, Xing-Yu Chen, Yun-Long Guo, Xin-Chang Wang, Andrew C.-H. Sue, Xiao-Yu Cao, Xiao-Ye Wang

Version 1 posted 27 August 2021

745

Downloads

Analytical Chemistry

Working Paper

Hundreds of Unrecognized Halogenated Contaminants Discovered in Polar Bear Blood

Yanna Liu, Evan S. Richardson, Andrew E. Derocher, Nicholas J. Lunn, Hans-Joachim Lehmler, Xueshu Li, Yifeng Zhang, Julia Yue Cui, Lihua Cheng, Jonathan W. Martin

Version 1 posted 23 November 2018

561

Downloads

Energy

Working Paper

Photocatalytic overall water splitting under visible light enabled by a particulate conjugated polymer loaded with iridium

Yang Bai, Chao Li, Lunjie Liu, Yuichi Yamaguchi, Bahri Mounib, Haofan Yang, Adrian Gardner, Martijn Zwijnenburg, Nigel Browning, Alexander Cowan, Akihiko Kudo, Andrew Cooper, Reiner Sebastian Sprick

Version 1 posted 12 January 2022

641

Downloads

1

Citations

Physical Chemistry

Working Paper

New Insights into the Crystallographic Disorder in the Polymorphic Forms of Aspirin from Low-frequency Vibrational Analysis

Qi Li, Andrew D. Bond, Timothy M. Korter, J. Axel Zeitler

Version 1 posted 20 September 2021

393

Downloads

Physical Chemistry

Working Paper

Long-lived Excited State in a Solubilized Graphene Nanoribbon

Matthew Drummer, Ksenija Glusac, Lin Chen, Xiaosong Li, Amy Cordones, Andrew Valentine, Brian Phelan, Nikita Gupta, Ravindra Weerasooriya

Version 1 posted 23 August 2021

308

Downloads

Refine Search

34 results in Andrew Li in Authors: Andrew Li

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Proton-coupled Electron Transfer in a Ruthenium (II) Bipyrimidine Complex in its Ground and Excited Electronic States

A Unified System for Molecular Property Predictions: Oloren ChemEngine and its Applications

Sustainable Electrosynthesis of Cyclohexanone Oxime through Nitrate Reduction on a Zn-Cu Alloy Catalyst

Metal-Responsive Regulation of Enzyme Catalysis using Genetically Encoded Chemical Switches

B,N-Embedded Double Hetero[7]helicenes with Strong Chiroptical Responses in the Visible Light Region

Hundreds of Unrecognized Halogenated Contaminants Discovered in Polar Bear Blood

Photocatalytic overall water splitting under visible light enabled by a particulate conjugated polymer loaded with iridium

New Insights into the Crystallographic Disorder in the Polymorphic Forms of Aspirin from Low-frequency Vibrational Analysis

Long-lived Excited State in a Solubilized Graphene Nanoribbon

34 results in Authors: Andrew Li