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El presente trabajo de tesis se basa en el estudio de multicapas enzimáticas y electrodos enzimáticos destinados a la fabricación de biosensores y biocátodos para celdas de combustible. Las multicapas, de espesores n...

Copper sites in proteins are designed to perform either electron transfer or redox catalysis. Type 1 and CuA sites are electron transfer hubs bound to a rigid protein fold that prevents binding of exogenous ligands and s...

La integración entre biotecnología y nanotecnología conforma la bionanotecnología que es una disciplina que permite potenciar la utilización de biomoléculas con materiales abióticos de diseño a escala nanométric...

Correlation consistent and augmented correlation consistent basis sets have been determined for the second row atoms aluminum through argon. The methodology, originally developed for the first row atoms [T. H. Dunning, J...

Materias / palabras clave: Chemistry; Dielectric; Ab initio; Electric field; Polarization (electrochemistry); Electrostatics; Wave function; Ab initio quantum chemistry methods; Chemical physics; Solvent; Solvent effects; Molecular physics

Part 1 From molecular to supramolecular chemistry: concepts and language of supramolecular chemistry. Part 2 Molecular recognition: recognition, information, complementarity molecular receptors - design principles spheri...

A contracted Gaussian basis set (6-311G**) is developed by optimizing exponents and coefficients at the Mo/ller–Plesset (MP) second-order level for the ground states of first-row atoms. This has a triple split in the v...

Materias / palabras clave: Basis set; Atomic physics; Hydrogen; Exponent; Gaussian; Valence (chemistry); Chemistry; Atom (system on chip); Polarization (electrochemistry); STO-nG basis sets; Atomic orbital; Hydrogen atom

The challenges for further development of Li rechargeable batteries for electric vehicles are reviewed. Most important is safety, which requires development of a nonflammable electrolyte with either a larger window betwe...

We present a method for calculating the stability of reaction intermediates of electrochemical processes on the basis of electronic structure calculations. We used that method in combination with detailed density functio...

Materias / palabras clave: principals of electrochemistry, fundamental bioelectrochemistry, molecular electrochemistry, processes on electrodes, organic and organometallic electrochemistry, physical and biophysical electrochemistry; Technology: Ch...