David Adrian Saez

6PUBLICATIONS
8CO-AUTHORS
Computational chemistryOrganometallic chemistryTheoretical quantum chemistryOrganic chemical synthesisChemical and thermal processes in energy and combustion
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Publications (6)

|Jul 14, 2025
Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in Enzymes.

José Luís Velázquez-Libera, Rodrigo Recabarren, David Adrian Saez

|Oct 25, 2022
Ene-adducts from 1,4-dihydropyridines and α,β-unsaturated nitriles: asynchronous transition states displaying aromatic features.

David Adrian Saez, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez

|Jan 18, 2020
Atom-Condensed Fukui Function in Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide.

Javier Oller, David Adrian Saez, Esteban Vöhringer-Martinez

|Jun 28, 2019
Four amino acids define the CO2 binding pocket of enoyl-CoA carboxylases/reductases.

Gabriele M M Stoffel, David Adrian Saez, Hasan DeMirci

|Jun 13, 2019
Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases.

Iria Bernhardsgrütter, Kristina Schell, Dominik M Peter

|Aug 31, 2018
Catalytic Reaction Mechanism in Native and Mutant Catechol- O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis.

David Adrian Saez, Kirill Zinovjev, Iñaki Tuñón

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