المؤلفون: Connor M. Simon (11926925), Katherine N. Robertson (841910), Patrick L. DeRoy (2485867), Arun A. Yadav (14304300), Erin R. Johnson (1299714), Mark Stradiotto (1887670)

مصطلحات موضوعية: Biochemistry, Immunology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, using (< b, suitable reaction partners, cl (< b, also present results, computational study focusing, related sulfonamido complexes, l , aryl chlorides proved, past study, test nucleophile, tert <, preferred pathway, nh substrates, employing primarily, deprotonation leading, >- tol, >- butanesulfinamide

Relation: https://figshare.com/articles/journal_contribution/Nickel-Catalyzed_N_Arylation_of_Sulfinamides_A_Comparative_Study_versus_Analogous_Sulfonamide_Cross-Couplings/21782673

الاتاحة: https://doi.org/10.1021/acs.organomet.2c00545.s001

المؤلفون: Connor M. Simon (11926925), Samantha L. Dudra (11926928), Ryan T. McGuire (5748638), Michael J. Ferguson (1655617), Erin R. Johnson (1299714), Mark Stradiotto (1887670)

مصطلحات موضوعية: Biochemistry, Cell Biology, Immunology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, pseudo )­ halides, previously undocumented base, precatalyst (< b, hetero )­ anilines, employing (< b, bisphosphine )­ ni, hetero )­ aryl, l1 , nh nucleophiles represents, 2 , aryl ′)­, useful method, provide evidence, often invoked, mechanistic understanding, dalphos ), computational study, combined experimental, bu )

Relation: https://figshare.com/articles/journal_contribution/Identification_of_a_Nitrenoid_Reductive_Elimination_Pathway_in_Nickel-Catalyzed_C_N_Cross-Coupling/18129224

الاتاحة: https://doi.org/10.1021/acscatal.1c05386.s001

المؤلفون: Julia A. Schmidt (11246661), Joseph A. Weatherby (5883500), Isaac J. Sugden (1356243), Alejandro Santana-Bonilla (5391680), Francesco Salerno (3454796), Matthew J. Fuchter (448476), Erin R. Johnson (1299714), Jenny Nelson (1269003), Kim E. Jelfs (1297440)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Pharmacology, Biotechnology, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, 1344 helicene compounds, material design process, Optimize Charge Transport Molecular., Chiral Organic Semiconductors, Exploring Side-Group Functionalization, screening approach, crystal structure prediction

Relation: https://figshare.com/articles/journal_contribution/Computational_Screening_of_Chiral_Organic_Semiconductors_Exploring_Side-Group_Functionalization_and_Assembly_to_Optimize_Charge_Transport/15131574

الاتاحة: https://doi.org/10.1021/acs.cgd.1c00473.s001

المؤلفون: Michelle B. Mills (11401212), Harrison K. S. Young (11440593), Gabriele Wehrle (11440596), Willem R. Verduyn (6017924), Xibo Feng (11440599), Paul D. Boyle (1533037), Pierre Dechambenoit (1671946), Erin R. Johnson (1299714), Kathryn E. Preuss (1671940)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Pharmacology, Biotechnology, Immunology, Mental Health, Hematology, Chemical Sciences not elsewhere classified, radical molecules leads, positive electrostatic potential, difluorobenzimidazolyl )]- 1, define chains along, σ ‑ hole, directing intermolecular interactions, electronegative f atoms, hbimdtda ]< sub, 2 , dtda n atoms, h ‑ bonding, hbimdtda morphology reported, intermolecular interactions, hole interactions, atoms creates, revealing σ, pairs along, morphology comparable, imidazolyl n, related hbimdtda, noncovalent interactions

Relation: https://figshare.com/articles/journal_contribution/Noncovalent_Interactions_in_Organic_Radicals_Pancake_Hole_and_H_Bonding_in_F_sub_2_sub_HbimDTDA/16627554

الاتاحة: https://doi.org/10.1021/acs.cgd.1c00520.s001

المؤلفون: Fouad Kaadou (10841450), Jesse Maassen (1886218), Erin R. Johnson (1299714)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Biotechnology, Cancer, Infectious Diseases, Space Science, Environmental Sciences not elsewhere classified, Astronomical and Space Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Density-functional theory calculations, 2 D electride layer, MoS 2, electride surface states, TMDC, barrier, interface, 2 N Electride, 2 N, contact, van der Waals gap, tunneling

Relation: https://figshare.com/articles/journal_contribution/Improved_Charge_Transfer_and_Barrier_Lowering_across_a_Au_MoS_sub_2_sub_Interface_through_Insertion_of_a_Layered_Ca_sub_2_sub_N_Electride/14637887

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c02142.s001

المؤلفون: Matthew S. Christian (2829050), Erin R. Johnson (1299714), Theodore M. Besmann (6116339)

مصطلحات موضوعية: Biophysics, Medicine, Physiology, Biotechnology, Ecology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, Uranium Compounds High-throughput, Hubbard U value, actinide, Hubbard U term, metastable states, Hubbard U corrections, future high-throughput calculations, XDM dispersion correction, dispersion correction cause, UO, UN, UC, dispersion correction

Relation: https://figshare.com/articles/journal_contribution/Interplay_between_London_Dispersion_Hubbard_i_U_i_and_Metastable_States_for_Uranium_Compounds/14312260

الاتاحة: https://doi.org/10.1021/acs.jpca.0c10533.s001

المؤلفون: Christopher C. V. Jones (10263406), Jignesh J. Patel (2460538), Ross D. Jansen-van Vuuren (10263409), Gregory M. Ross (2997210), Bernd O. Keller (1928089), Francoise Sauriol (1955230), Gabriele Schatte (2034985), Erin R. Johnson (1299714), Victor Snieckus (266177)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Microbiology, Cell Biology, Molecular Biology, Evolutionary Biology, Ecology, Infectious Diseases, Plant Biology, Environmental Sciences not elsewhere classified, Astronomical and Space Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, S E Ar Reactivity, VT NMR, Substituted Naphthalenes Mono, products 3, Remote Metalation, di-iodinated products, dianion species, 2- aryl, fluorenone structure 9

Relation: https://figshare.com/articles/journal_contribution/Directed_i_Ortho_i_and_i_Remote_i_Metalation_of_Naphthalene_1_8-Diamide_Complementing_S_sub_i_E_i_sub_Ar_Reactivity_for_the_Synthesis_of_Substituted_Naphthalenes/14173399

الاتاحة: https://doi.org/10.1021/acs.orglett.1c00521.s001

المؤلفون: Connor M. Simon (11926925), Katherine N. Robertson (841910), Patrick L. DeRoy (2485867), Arun A. Yadav (14304300), Erin R. Johnson (1299714), Mark Stradiotto (1887670)

مصطلحات موضوعية: Biochemistry, Immunology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, using (< b, suitable reaction partners, cl (< b, also present results, computational study focusing, related sulfonamido complexes, l , aryl chlorides proved, past study, test nucleophile, tert <, preferred pathway, nh substrates, employing primarily, deprotonation leading, >- tol, >- butanesulfinamide

Relation: https://figshare.com/articles/dataset/Nickel-Catalyzed_N_Arylation_of_Sulfinamides_A_Comparative_Study_versus_Analogous_Sulfonamide_Cross-Couplings/21782676

الاتاحة: https://doi.org/10.1021/acs.organomet.2c00545.s002

المؤلفون: Connor M. Simon (11926925), Samantha L. Dudra (11926928), Ryan T. McGuire (5748638), Michael J. Ferguson (1655617), Erin R. Johnson (1299714), Mark Stradiotto (1887670)

مصطلحات موضوعية: Biochemistry, Cell Biology, Immunology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, pseudo )­ halides, previously undocumented base, precatalyst (< b, hetero )­ anilines, employing (< b, bisphosphine )­ ni, hetero )­ aryl, l1 , nh nucleophiles represents, 2 , aryl ′)­, useful method, provide evidence, often invoked, mechanistic understanding, dalphos ), computational study, combined experimental, bu )

Relation: https://figshare.com/articles/dataset/Identification_of_a_Nitrenoid_Reductive_Elimination_Pathway_in_Nickel-Catalyzed_C_N_Cross-Coupling/18129230

الاتاحة: https://doi.org/10.1021/acscatal.1c05386.s003

المؤلفون: Connor M. Simon (11926925), Samantha L. Dudra (11926928), Ryan T. McGuire (5748638), Michael J. Ferguson (1655617), Erin R. Johnson (1299714), Mark Stradiotto (1887670)

مصطلحات موضوعية: Biochemistry, Cell Biology, Immunology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, pseudo )­ halides, previously undocumented base, precatalyst (< b, hetero )­ anilines, employing (< b, bisphosphine )­ ni, hetero )­ aryl, l1 , nh nucleophiles represents, 2 , aryl ′)­, useful method, provide evidence, often invoked, mechanistic understanding, dalphos ), computational study, combined experimental, bu )

Relation: https://figshare.com/articles/dataset/Identification_of_a_Nitrenoid_Reductive_Elimination_Pathway_in_Nickel-Catalyzed_C_N_Cross-Coupling/18129233

الاتاحة: https://doi.org/10.1021/acscatal.1c05386.s004