Roberto
López González
Publicacions en què col·labora amb Roberto López González (4)
2022
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QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach
Journal of Chemical Information and Modeling, Vol. 62, Núm. 6, pp. 1510-1524
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Speciation of organoarsenicals in aqueous solutions by Raman spectrometry and quantum chemical calculations
Microchemical Journal, Vol. 175
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pH-dependent structural changes of arsenic oxoacids in solution and solid phase: Raman spectrometry and computational studies
Microchemical Journal, Vol. 175
2020
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Alkali and Alkaline-Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition
ChemPhysChem, Vol. 21, Núm. 1, pp. 99-112