المؤلفون: Michelle E. Akana, Sergei Tcyrulnikov, Brett D. Akana-Schneider, Giselle P. Reyes, Sebastien Monfette, Matthew S. Sigman, Eric C. Hansen, Daniel J. Weix

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, statistical modeling provide, despite significant increases, computational methods enable, computational ligand library, c ­( sp, >- alkylpyridinium salt, observed reaction outcomes, 2 ′- bipyridines, substituted ligands display, improved bipyridine ligands, electrophile coupling cross, electrophile coupling, improved catalysts, especially 2, several cross, electrophile couplings, challenging coupling, catalyzed cross, nitrogenous ligands, reaction scope

Relation: https://figshare.com/articles/journal_contribution/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075519

الاتاحة: https://doi.org/10.1021/jacs.3c09554.s001
https://figshare.com/articles/journal_contribution/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075519

المؤلفون: Michelle E. Akana, Sergei Tcyrulnikov, Brett D. Akana-Schneider, Giselle P. Reyes, Sebastien Monfette, Matthew S. Sigman, Eric C. Hansen, Daniel J. Weix

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, statistical modeling provide, despite significant increases, computational methods enable, computational ligand library, c ­( sp, >- alkylpyridinium salt, observed reaction outcomes, 2 ′- bipyridines, substituted ligands display, improved bipyridine ligands, electrophile coupling cross, electrophile coupling, improved catalysts, especially 2, several cross, electrophile couplings, challenging coupling, catalyzed cross, nitrogenous ligands, reaction scope

Relation: https://figshare.com/articles/journal_contribution/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075519

الاتاحة: https://doi.org/10.1021/jacs.3c09554.s001

المؤلفون: Michelle E. Akana, Sergei Tcyrulnikov, Brett D. Akana-Schneider, Giselle P. Reyes, Sebastien Monfette, Matthew S. Sigman, Eric C. Hansen, Daniel J. Weix

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, statistical modeling provide, despite significant increases, computational methods enable, computational ligand library, c ­( sp, >- alkylpyridinium salt, observed reaction outcomes, 2 ′- bipyridines, substituted ligands display, improved bipyridine ligands, electrophile coupling cross, electrophile coupling, improved catalysts, especially 2, several cross, electrophile couplings, challenging coupling, catalyzed cross, nitrogenous ligands, reaction scope

Relation: https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075522

الاتاحة: https://doi.org/10.1021/jacs.3c09554.s002
https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075522

المؤلفون: Michelle E. Akana, Sergei Tcyrulnikov, Brett D. Akana-Schneider, Giselle P. Reyes, Sebastien Monfette, Matthew S. Sigman, Eric C. Hansen, Daniel J. Weix

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, statistical modeling provide, despite significant increases, computational methods enable, computational ligand library, c ­( sp, >- alkylpyridinium salt, observed reaction outcomes, 2 ′- bipyridines, substituted ligands display, improved bipyridine ligands, electrophile coupling cross, electrophile coupling, improved catalysts, especially 2, several cross, electrophile couplings, challenging coupling, catalyzed cross, nitrogenous ligands, reaction scope

Relation: https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075525

الاتاحة: https://doi.org/10.1021/jacs.3c09554.s003
https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075525

المؤلفون: Michelle E. Akana, Sergei Tcyrulnikov, Brett D. Akana-Schneider, Giselle P. Reyes, Sebastien Monfette, Matthew S. Sigman, Eric C. Hansen, Daniel J. Weix

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, statistical modeling provide, despite significant increases, computational methods enable, computational ligand library, c ­( sp, >- alkylpyridinium salt, observed reaction outcomes, 2 ′- bipyridines, substituted ligands display, improved bipyridine ligands, electrophile coupling cross, electrophile coupling, improved catalysts, especially 2, several cross, electrophile couplings, challenging coupling, catalyzed cross, nitrogenous ligands, reaction scope

Relation: https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075528

الاتاحة: https://doi.org/10.1021/jacs.3c09554.s004
https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075528

المؤلفون: Michelle E. Akana, Sergei Tcyrulnikov, Brett D. Akana-Schneider, Giselle P. Reyes, Sebastien Monfette, Matthew S. Sigman, Eric C. Hansen, Daniel J. Weix

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, statistical modeling provide, despite significant increases, computational methods enable, computational ligand library, c ­( sp, >- alkylpyridinium salt, observed reaction outcomes, 2 ′- bipyridines, substituted ligands display, improved bipyridine ligands, electrophile coupling cross, electrophile coupling, improved catalysts, especially 2, several cross, electrophile couplings, challenging coupling, catalyzed cross, nitrogenous ligands, reaction scope

Relation: https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075522

الاتاحة: https://doi.org/10.1021/jacs.3c09554.s002

المؤلفون: Michelle E. Akana, Sergei Tcyrulnikov, Brett D. Akana-Schneider, Giselle P. Reyes, Sebastien Monfette, Matthew S. Sigman, Eric C. Hansen, Daniel J. Weix

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, statistical modeling provide, despite significant increases, computational methods enable, computational ligand library, c ­( sp, >- alkylpyridinium salt, observed reaction outcomes, 2 ′- bipyridines, substituted ligands display, improved bipyridine ligands, electrophile coupling cross, electrophile coupling, improved catalysts, especially 2, several cross, electrophile couplings, challenging coupling, catalyzed cross, nitrogenous ligands, reaction scope

Relation: https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075525

الاتاحة: https://doi.org/10.1021/jacs.3c09554.s003

المؤلفون: Michelle E. Akana, Sergei Tcyrulnikov, Brett D. Akana-Schneider, Giselle P. Reyes, Sebastien Monfette, Matthew S. Sigman, Eric C. Hansen, Daniel J. Weix

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, statistical modeling provide, despite significant increases, computational methods enable, computational ligand library, c ­( sp, >- alkylpyridinium salt, observed reaction outcomes, 2 ′- bipyridines, substituted ligands display, improved bipyridine ligands, electrophile coupling cross, electrophile coupling, improved catalysts, especially 2, several cross, electrophile couplings, challenging coupling, catalyzed cross, nitrogenous ligands, reaction scope

Relation: https://figshare.com/articles/dataset/Computational_Methods_Enable_the_Prediction_of_Improved_Catalysts_for_Nickel-Catalyzed_Cross-Electrophile_Coupling/25075528

الاتاحة: https://doi.org/10.1021/jacs.3c09554.s004