المؤلفون: Hanjun Fang, Alan S.S. Daou, Salah Eddine Boulfelfel, John M. Findley, Peter I. Ravikovitch, David S. Sholl

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Biotechnology, Evolutionary Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, simulated adsorption properties, lattice constant changes, known synthesis routes, extensive experimental data, coupled cluster corrections, several promising materials, given zeolite topology, exchanged zeolites based, developed force fields, derived force fields, force fields, zeolite structures, cationic zeolites, aluminosilicate zeolites, tested experimentally, take account, screened silica, periodic first, n <, n -<, methane mixtures, materials selected

Relation: https://figshare.com/articles/journal_contribution/Computational_Screening_of_Cationic_Zeolites_for_i_n_i_Butane_Methane_Separations_Using_Quantitatively_Accurate_First-Principles-Derived_Force_Fields/24665733

الاتاحة: https://doi.org/10.1021/acs.jpcc.3c06115.s002
https://figshare.com/articles/journal_contribution/Computational_Screening_of_Cationic_Zeolites_for_i_n_i_Butane_Methane_Separations_Using_Quantitatively_Accurate_First-Principles-Derived_Force_Fields/24665733

المؤلفون: Hanjun Fang, Alan S.S. Daou, Salah Eddine Boulfelfel, John M. Findley, Peter I. Ravikovitch, David S. Sholl

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Biotechnology, Evolutionary Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, simulated adsorption properties, lattice constant changes, known synthesis routes, extensive experimental data, coupled cluster corrections, several promising materials, given zeolite topology, exchanged zeolites based, developed force fields, derived force fields, force fields, zeolite structures, cationic zeolites, aluminosilicate zeolites, tested experimentally, take account, screened silica, periodic first, n <, n -<, methane mixtures, materials selected

Relation: https://figshare.com/articles/dataset/Computational_Screening_of_Cationic_Zeolites_for_i_n_i_Butane_Methane_Separations_Using_Quantitatively_Accurate_First-Principles-Derived_Force_Fields/24665730

الاتاحة: https://doi.org/10.1021/acs.jpcc.3c06115.s001
https://figshare.com/articles/dataset/Computational_Screening_of_Cationic_Zeolites_for_i_n_i_Butane_Methane_Separations_Using_Quantitatively_Accurate_First-Principles-Derived_Force_Fields/24665730