المؤلفون: Clayton J. Curtis (11231488), Andrei V. Astashkin (1324170), Jeanet Conradie (734755), Abhik Ghosh (653725), Elisa Tomat (1327788)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, quasi-reversible ligand-centered re., bidentate dipyrrindiones, electron reservoirs, dianionic species, divalent palladium centers, oligopyrrolic π systems, dipyrrindione ligands, Q-band EPR spectroscopic experiments, transition-metal complexes, cobaltocenium salt features, redox-active ligands, one-electron redox chemistry, two-electron chemical reduction, DFT, deprotonation-driven dimerization, hydroxo bridges, macrocyclic ligands, triplet state, Ligand-Centered Triplet Diradical, EPR temperature dependence

Relation: https://figshare.com/articles/journal_contribution/Ligand-Centered_Triplet_Diradical_Supported_by_a_Binuclear_Palladium_II_Dipyrrindione/15106279

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c01691.s001

المؤلفون: Jeanet Conradie (734755), Carl C. Wamser (1362198), Abhik Ghosh (653725)

مصطلحات موضوعية: Biochemistry, Physiology, Sociology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, understanding hyperporphyrin spectra, tz2p basis sets, type frontier mos, substantially better description, otherwise classic gouterman, key spectral features, cosmo solvation model, pure olyp functional, detailed tddft study, diprotonated tetrakis (<, called porphyrin diacids, hybrid b3lyp functional, b3lyp functional, tetrakis ­(<, tddft calculations, diprotonated forms, tapp diacid, separated camy, reflecting infusion, p <, lowered lumos, induced redshifts, improvements relative

Relation: https://figshare.com/articles/journal_contribution/Understanding_Hyperporphyrin_Spectra_TDDFT_Calculations_on_Diprotonated_Tetrakis_i_p_i_aminophenyl_porphyrin/16906671

الاتاحة: https://doi.org/10.1021/acs.jpca.1c06621.s001

المؤلفون: Abhik Ghosh (653725), Jeanet Conradie (734755)

مصطلحات موضوعية: Biochemistry, Geology, Astronomical and Space Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, pt ­( ii, au ­( iii, elevated porphyrin e, π , g , 2u , zn ­( ii, transition metal ions, pd ­( ii, exhibiting normal spectra, n <, porphyrin nitrogens, porphyrin derivatives, hypsoporphyrin spectra, traditionally ascribed, thus explaining, sup ><, spectral blueshifts, new interpretation, large amplitudes, hypsocorroles nearly, hypso spectra, gouterman classified, found instead, exhibit blueshifted

Relation: https://figshare.com/articles/journal_contribution/The_Dog_That_Didn_t_Bark_A_New_Interpretation_of_Hypsoporphyrin_Spectra_and_the_Question_of_Hypsocorroles/16991985

الاتاحة: https://doi.org/10.1021/acs.jpca.1c08425.s001

المؤلفون: Jeanet Conradie (734755), Abraham B. Alemayehu (2135668), Abhik Ghosh (653725)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Physiology, Pharmacology, Infectious Diseases, Chemical Sciences not elsewhere classified, tz2p calculations predict, relativistic dft calculations, moderately domed macrocycle, stable compounds scalar, indefinitely stable, ligand noninnocence, lead us, essential invariance, correlation functionals, correlation functional, ambient conditions, 8 ev, 69 å

Relation: https://figshare.com/articles/journal_contribution/Iridium_VII_Corrole_Terminal_Carbides_Should_Exist_as_Stable_Compounds/17198957

الاتاحة: https://doi.org/10.1021/acsorginorgau.1c00029.s001

المؤلفون: James Friday Amaku (10512783), Segun A. Ogundare (9904546), Kovo G. Akpomie (9354867), Isiaka A. Lawal (8520423), Samson Akpotu (10968104), Christian Odih (10968107), Jeanet Conradie (734755)

مصطلحات موضوعية: Medicine, Cell Biology, Biotechnology, Ecology, Cancer, Plant Biology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Adsorption, dialiumguineenseextract, granite, optimisation, chromium

Relation: https://figshare.com/articles/journal_contribution/Granite-MWCNTs_nanocomposite_coated_with_i_Dialium_guineense_i_stem_bark_extract_for_enhanced_adsorption_of_chromium_VI_/14779739

الاتاحة: https://doi.org/10.6084/m9.figshare.14779739.v1

المؤلفون: James Friday Amaku (10512783), Segun A. Ogundare (9904546), Kovo G. Akpomie (9354867), Jeanet Conradie (734755)

مصطلحات موضوعية: Biochemistry, Medicine, Molecular Biology, Biotechnology, Ecology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Pentaclethra macrophylla, chromium (VI), adsorbate, adsorbent, adsorption, reuse

Relation: https://figshare.com/articles/journal_contribution/_i_Pentaclethra_macrophylla_i_stem_bark_extract_anchored_on_functionalized_MWCNT-spent_molecular_sieve_nanocomposite_for_the_biosorption_of_hexavalent_chromium/14822247

الاتاحة: https://doi.org/10.6084/m9.figshare.14822247.v1

المؤلفون: Abraham B. Alemayehu (3934034), Laura J. McCormick-McPherson (6583424), Jeanet Conradie (734755), Abhik Ghosh (653725)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Astronomical and Space Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, 800 mV upshifted, rhenium corrole dimers, electrochemical HOMO-LUMO gaps, single-crystal X-ray structure dete., quadruple-bonded transition-metal d., Re corrole dimers, σ 2 π 4 δ 2, triple-bonded osmium corrole dimers, CO, diamagnetic 1 H NMR spectra, Os counterparts, Os corrole dimers

Relation: https://figshare.com/articles/journal_contribution/Rhenium_Corrole_Dimers_Electrochemical_Insights_into_the_Nature_of_the_Metal_Metal_Quadruple_Bond/14604961

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c00986.s001

المؤلفون: James Friday Amaku (10512783), Segun A. Ogundare (9904546), Kovo G. Akpomie (9354867), Jeanet Conradie (734755)

مصطلحات موضوعية: Biochemistry, Microbiology, Cell Biology, Molecular Biology, Pharmacology, Biotechnology, Ecology, Plant Biology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Adsorption, chromium (vi), harpephyllumcaffrum, silica gel, water treatment

Relation: https://figshare.com/articles/journal_contribution/Enhanced_sequestration_of_chromium_VI_onto_spent_self-indicating_silica_gels_coated_with_i_Harpephyllum_caffrum_i_stem_bark_extract/14355990

الاتاحة: https://doi.org/10.6084/m9.figshare.14355990.v1

المؤلفون: Alhadji Malloum (13703945), Jeanet Conradie (734755)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Ecology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Solvation of phenol, hydration free energy, hydrogen bond network, QTAIM analysis, temperature effects

Relation: https://figshare.com/articles/dataset/Microsolvation_of_phenol_in_water_structures_hydration_free_energy_and_enthalpy/21822341

الاتاحة: https://doi.org/10.6084/m9.figshare.21822341.v1