المؤلفون: Joseph Schell (5264618), Kaidi Yang (7304858), Rainer Glaser (1608103)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, relevant rotational profiles, accurate solvation model, ensemble energies computed, full conformational space, detailed studies emphasize, molecular translational entropies, helmholtz free energy, corresponding carbamic acids, based biomimetic systems, phase reaction energies, aqueous solution considering, bd , capture reactions δ, 2 , translational entropies, reaction energies, free energy, carbamic acids, phase studies, conformational isomerizations, carbamylation reactions, bd ), aqueous solution

Relation: https://figshare.com/articles/journal_contribution/Computational_Investigation_of_the_Thermochemistry_of_the_CO_sub_2_sub_Capture_Reaction_by_Ethylamine_Propylamine_and_Butylamine_in_Aqueous_Solution_Considering_the_Full_Conformational_Space_via_Boltzmann_Statistics/16903620

الاتاحة: https://doi.org/10.1021/acs.jpca.1c06294.s001