DFT plus PCM calculation for pairing specificity of Watsonâ•fiCrickâ•'type bases in aqueous solutions
Chemical potential, derivative discontinuity, fractional electrons, jump of the Kohn–Sham potential, atoms as thermodynamic open systems, and other (m ... - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D2CP01585D
Electronic Structure of the Water Dimer Cation
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A DFT study on radical-cationic methanol clusters: Structure, bonding and H-transfer - ScienceDirect
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H-ABC– and dystonia-causing TUBB4A mutations show distinct pathogenic effects | Science Advances
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PDF) Hydrogen bonding between histidine and lignin model compounds or redox mediators as calculated with the DFT method. Effects on the ease of oxidationElectronic supplementary information (ESI) available: Fig. S1: comparison of
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Theoretical Studies of Fundamental Pathways for Alkaline Hydrolysis of Carboxylic Acid Esters in Gas Phase | Journal of the American Chemical Society
Quımica de mol´eculas org´anicas en regiones de formaci´on de estrellas masivas
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Hiperbaric y los primeros compresores españoles de h2 a alta presión
Hiperbaric y los primeros compresores españoles de h2 a alta presión
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