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5 results in Authors: Justin Talbot

Theoretical and Computational Chemistry

Dynamic signature of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states.

Justin J. Talbot, Martin Head-Gordon, William H. Miller, Stephen J. Cotton

Version 1 posted 13 October 2021

295

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Physical Chemistry

A Free Energy Decomposition Analysis: Insight into Binding Thermodynamics from Absolutely Localized Molecular Orbitals

Justin Talbot, Romit Chakraborty, Hengyuan Shen, Martin Head-Gordon

Version 1 posted 23 May 2023

264

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Physical Chemistry

Infrared Signatures of Isomer Selectivity and Symmetry Breaking in the Cs+(H2O)3 Complex Using Many-Body Potential Energy Functions

Marc Riera, Justin J. Talbot, Ryan P. Steele, Paesani Lab

Version 1 posted 12 May 2020

326

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Materials Chemistry

Quantum Chemical Modeling of Hydrogen Binding in Metal--Organic Frameworks: Validation, Insight, Predictions and Challenges.

Romit Chakraborty, Justin Talbot, Hengyuan Shen, Yuto Yabuuchi, Kurtis Carsch, Henry Z. H. Jiang, Hiroyasu Furukawa, Jeffrey R. Long, Martin Head-Gordon

Version 1 posted 09 November 2023

325

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Physical Chemistry

Caught in the act: real-time observation of the solvent response that promotes excited-state proton transfer in pyranine

Claudius Hoberg, Justin Talbot, James Shee, Thorsten Ockelmann, Debasish DasMahanta, Fabio Novelli, Martin Head-Gordon, Martina Havenith

Version 3 posted 18 October 2022

821

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