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Inorganic Chemistry

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Theoretical and Computational Chemistry

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Arturo Sauza-de la Vega

3 results in Authors: Arturo Sauza-de la Vega

Theoretical and Computational Chemistry

Towards an Atomistic Understanding of Polymorphism in Molecular Solids

Arturo Sauza-de la Vega, Leonardo J. Duarte, arnaldo silva, Jonathan Skelton, Tomás Rocha-Rinza, Paul Popelier

Version 1 posted 13 April 2021

392

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Theoretical and Computational Chemistry

Designing Molecular Qubits: Computational Insights into First-Row and Group 6 Transition Metal Complexes

Arturo Sauza-de la Vega, Andrea Darù, Stephanie Nofz, Laura Gagliardi

Version 4 posted 19 May 2025

418

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Theoretical and Computational Chemistry

Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits

Arturo Sauza-de la Vega, Riddhish Pandharkar, Gautam D. Stroscio, Arup Sarkar, Donald G. Truhlar, Laura Gagliardi

Version 1 posted 06 May 2022

459

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