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Computational Catalysis and Chemical Reactivity
Atomistic simulations for the development of carbon-free and energy-related, chemical processes: thermo-, photo-, and electrochemistry
Research lines
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DFT and Reactive Force Field simulations of solid and nanocatalysis. J. M. Ricart and J. J. Carbó
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Modeling catalytic and dynamic properties of polyoxometallates (POMs). J. J. Carbó and M. Besora
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DFT and statistical modeling of boron chemistry and molecular catalysis. J. J. Carbó and M. Besora
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Computational study of photophysical and photochemical processes in organic and catalytic systems. M. Reguero and M. Besora
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