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4 results in Authors: Teresa Head-Gordon

Theoretical and Computational Chemistry

Computational Screening of Putative Catalyst Transition Metal Complexes as Guests in a Ga4L6–12 Nanocage

Clorice Reinhardt, Melissa Manetsch, Wanlu Li, Teresa Head-Gordon, Heather Kulik

Version 1 posted 22 May 2024

127

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Materials Science

AutoDetect-mNP: An Unsupervised Machine Learning Algorithm for Automated Analysis of Transmission Electron Microscope Images of Metal Nanoparticles

Xingzhi Wang, Jie Li, Hyun Dong Ha, Jakob Dahl, Justin C. Ondry, Ivan A. Moreno-Hernandez, Teresa Head-Gordon, Paul Alivisatos

Version 2 posted 28 January 2021

785

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Physical Chemistry

Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data

Yudong Qiu, Paul S. Nerenberg, Teresa Head-Gordon, Lee-Ping Wang

Version 1 posted 23 April 2019

885

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Theoretical and Computational Chemistry

Force Decomposition Analysis: A method to decompose intermolecular forces into physically relevant component contributions

Abdulrahman Aldossary, Martí Gimferrer, Yuezhi Mao, Hongxia Hao, Akshaya K. Das, Pedro Salvador, Teresa Head-Gordon, Martin Head-Gordon

Version 1 posted 28 November 2022

826

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