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4 results in Authors: Daniel Sethio

Theoretical and Computational Chemistry

A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures

Daniel Sethio, Emily Azzopardi, Ignacio Fernández Galván, Roland Lindh

Version 4 posted 06 March 2024

462

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Theoretical and Computational Chemistry

Recent Developments in Noncovalent Interaction Methods

Version 1 posted 30 March 2023

302

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Theoretical and Computational Chemistry

Simulation Reveals the Environment-dependent Conformational Switching of Macrocycles

Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg

Version 1 posted 14 June 2022

456

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Agriculture and Food Chemistry

Mechanosynthesis of a Coamorphous Formulation of Creatine with Citric Acid and Humidity–Mediated Transformation into a Cocrystal

Kyle B Pekar, Jonathan B Lefton, Christina McConville, Jewel Burleson, Daniel Sethio, Elfi Kraka, Tomce Runcevski

Version 1 posted 29 September 2020

909

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