publicaciones seleccionadas artículo académico ENE-ADDUCTS FROM 1,4-DIHYDROPYRIDINES AND ALPHA,BETA-UNSATURATED NITRILES: ASYNCHRONOUS TRANSITION STATES DISPLAYING AROMATIC FEATURES. ORGANIC & BIOMOLECULAR CHEMISTRY. 20(44):8662-8671. 2022 INTERSUBUNIT COUPLING ENABLES FAST CO2-FIXATION BY REDUCTIVE CARBOXYLASES. ACS CENTRAL SCIENCE. 8(8):1091-1101. 2022 ATOM-CONDENSED FUKUI FUNCTION IN CONDENSED PHASES AND BIOLOGICAL SYSTEMS AND ITS APPLICATION TO ENZYMATIC FIXATION OF CARBON DIOXIDE. JOURNAL OF PHYSICAL CHEMISTRY A. 124(5):849-857. 2020 HIGH LEVEL AB INITIO BINDING ENERGY DISTRIBUTION OF MOLECULES ON INTERSTELLAR ICES: HYDROGEN FLUORIDE. MOLECULAR ASTROPHYSICS. 21. 2020 AWAKENING THE SLEEPING CARBOXYLASE FUNCTION OF ENZYMES: ENGINEERING THE NATURAL CO2-BINDING POTENTIAL OF REDUCTASES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 141(25):9778-9782. 2019 ELECTRONIC STRUCTURE BENCHMARK CALCULATIONS OF INORGANIC AND BIOCHEMICAL CARBOXYLATION REACTIONS. JOURNAL OF COMPUTATIONAL CHEMISTRY. 1-13. 2019 FOUR AMINO ACIDS DEFINE THE CO2 BINDING POCKET OF ENOYL-COA CARBOXYLASES/REDUCTASES. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 116(28):13964-13969. 2019 CATALYTIC REACTION MECHANISM IN NATIVE AND MUTANT CATECHOL-O-METHYLTRANSFERASE FROM THE ADAPTIVE STRING METHOD AND MEAN REACTION FORCE ANALYSIS. JOURNAL OF PHYSICAL CHEMISTRY B. 122(38):8861-8871. 2018 THE EFFECT OF THE ENVIRONMENT ON THE METHYL TRANSFER REACTION MECHANISM BETWEEN TRIMETHYLSULFONIUM AND PHENOLATE. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18:24033-24042. 2016