المؤلفون: Wanjie Ren (5242103), Charles E. Schulz (1314321), Mark H. Shroyer (14232663), Wei Xu (28953), Shibo Xi (1553269), Pengfei An (3094260), Wenping Guo (1716427), Jianfeng Li (386792)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Biotechnology, Ecology, Cancer, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, new calculation strategy, gave remarkable agreement, fourier transform infrared, 0 diamagnetic states, δ ), allowed, feno }< sup, antiferromagnetically coupled (<, >< sub ><, q , 4 , >< sub, >, zz <, v <, para <, p <, e <, withdrawing capability, three complexes, strong effects, ray diffraction

Relation: https://figshare.com/articles/journal_contribution/Electronic_Configurations_and_the_Effect_of_Peripheral_Substituents_of_Nitrosyl_iron_Corroles/21691833

الاتاحة: https://doi.org/10.1021/acs.inorgchem.2c03026.s001

المؤلفون: Shaomin Lin (709446), Chunmao He (1628971)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Physiology, Ecology, Marine Biology, Cancer, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, viable chemical tool, feno }< sup, essential biological messenger, pyrococcus furiosus <, 7 sup, dna cleavage assay, pf <, griess assay, thermally stable, temporally controlled, temporal precision, study demonstrates, significant role, related research, physiological processes, highly sensitive, great interest, diverse range, center within

Relation: https://figshare.com/articles/journal_contribution/Development_of_Nonheme_FeNO_sup_7_sup_Complexes_Based_on_the_i_Pyrococcus_furiosus_i_Rubredoxin_for_Red-Light-Controllable_Nitric_Oxide_Release/16600133

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c02089.s001

المؤلفون: Rahul L. Khade (1578613), Erwin G. Abucayon (11436726), Douglas R. Powell (529625), George B. Richter-Addo (839347), Yong Zhang (5893)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Molecular Biology, Physiology, Pharmacology, Biotechnology, Ecology, Immunology, Infectious Diseases, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, fe ­( iii, fe ­( ii, density functional theory, feno }< sup, spin state upon, 7 sup, 6 sup, ferric centers involves, >- bond shortening, neutral axial ligands, >< sup, z <, trans <, spin states, neutral n, unoccupied orbital, sub ><

Relation: https://figshare.com/articles/journal_contribution/Insights_into_the_Observed_i_trans_i_-Bond_Length_Variations_upon_NO_Binding_to_Ferric_and_Ferrous_Porphyrins_with_Neutral_Axial_Ligands/16623141

الاتاحة: https://doi.org/10.1021/acsomega.1c03610.s001

المؤلفون: Daniel J. SantaLucia (11577191), John F. Berry (1391989)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Physiology, Biotechnology, Cancer, Plant Biology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, feno }< sup, − 1467 cm, − 1430 cm, selenium salts atom, n nmr experiments, >< sub ><, temperature nmr data, symmetry dft calculations, 9 sup, 7 sup, 15 sup, 4 , n )­[ fe, − 1813, − 1660, j <, bas <, ap <, >, )< sub

Relation: https://figshare.com/articles/journal_contribution/Antiferromagnetic_Exchange_and_Metal_Metal_Bonding_in_Roussin_s_Black_Sulfur_and_Selenium_Salts/16828370

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c02052.s001

المؤلفون: Quan Manh Phung (1630054), Yasin Muchammad (11593036), Takeshi Yanai (1487584), Abhik Ghosh (653725)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Physiology, Ecology, Marine Biology, Infectious Diseases, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, interstate energy differences, unsubstituted corrolato ligand, unit antiferromagnetically coupled, runo }< sup, innocent corrole macrocycle, feno }< sup, corrole noninnocent character, mn ­[ cor, fe ­[ cor, analogous triplet state, quantifying ligand noninnocence, far larger margin, corrole radical character, state energetics data, 7 sup, seven archetypal metallocorroles, 0 ground state, 2 , ligand noninnocence, state energetics

Relation: https://figshare.com/articles/journal_contribution/A_DMRG_CASPT2_Investigation_of_Metallocorroles_Quantifying_Ligand_Noninnocence_in_Archetypal_3d_and_4d_Element_Derivatives/16850377

الاتاحة: https://doi.org/10.1021/jacsau.1c00417.s001

المؤلفون: Rahul L. Khade (1578613), Erwin G. Abucayon (11436726), Douglas R. Powell (529625), George B. Richter-Addo (839347), Yong Zhang (5893)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Molecular Biology, Physiology, Pharmacology, Biotechnology, Ecology, Immunology, Infectious Diseases, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, fe ­( iii, fe ­( ii, density functional theory, feno }< sup, spin state upon, 7 sup, 6 sup, ferric centers involves, >- bond shortening, neutral axial ligands, >< sup, z <, trans <, spin states, neutral n, unoccupied orbital, sub ><

Relation: https://figshare.com/articles/dataset/Insights_into_the_Observed_i_trans_i_-Bond_Length_Variations_upon_NO_Binding_to_Ferric_and_Ferrous_Porphyrins_with_Neutral_Axial_Ligands/16623147

الاتاحة: https://doi.org/10.1021/acsomega.1c03610.s003

المؤلفون: Rahul L. Khade (1578613), Erwin G. Abucayon (11436726), Douglas R. Powell (529625), George B. Richter-Addo (839347), Yong Zhang (5893)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Molecular Biology, Physiology, Pharmacology, Biotechnology, Ecology, Immunology, Infectious Diseases, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, fe ­( iii, fe ­( ii, density functional theory, feno }< sup, spin state upon, 7 sup, 6 sup, ferric centers involves, >- bond shortening, neutral axial ligands, >< sup, z <, trans <, spin states, neutral n, unoccupied orbital, sub ><

Relation: https://figshare.com/articles/dataset/Insights_into_the_Observed_i_trans_i_-Bond_Length_Variations_upon_NO_Binding_to_Ferric_and_Ferrous_Porphyrins_with_Neutral_Axial_Ligands/16623144

الاتاحة: https://doi.org/10.1021/acsomega.1c03610.s002

المؤلفون: Rahul L. Khade (1578613), Erwin G. Abucayon (11436726), Douglas R. Powell (529625), George B. Richter-Addo (839347), Yong Zhang (5893)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Molecular Biology, Physiology, Pharmacology, Biotechnology, Ecology, Immunology, Infectious Diseases, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, fe ­( iii, fe ­( ii, density functional theory, feno }< sup, spin state upon, 7 sup, 6 sup, ferric centers involves, >- bond shortening, neutral axial ligands, >< sup, z <, trans <, spin states, neutral n, unoccupied orbital, sub ><

Relation: https://figshare.com/articles/dataset/Insights_into_the_Observed_i_trans_i_-Bond_Length_Variations_upon_NO_Binding_to_Ferric_and_Ferrous_Porphyrins_with_Neutral_Axial_Ligands/16623150

الاتاحة: https://doi.org/10.1021/acsomega.1c03610.s004

المؤلفون: Wanjie Ren, Charles E. Schulz, Mark H. Shroyer, Wei Xu, Shibo Xi, Pengfei An, Wenping Guo, Jianfeng Li

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Biotechnology, Ecology, Cancer, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, new calculation strategy, gave remarkable agreement, fourier transform infrared, 0 diamagnetic states, δ ), allowed, feno }< sup, antiferromagnetically coupled (<, >< sub ><, q , 4 , zz <, v <, para <, p <, e <, withdrawing capability, three complexes, strong effects, ray diffraction, plane displacements, oxidation potentials

Relation: https://doi.org/10.1021/acs.inorgchem.2c03026.s001

الاتاحة: https://doi.org/10.1021/acs.inorgchem.2c03026.s001

المؤلفون: Quan Manh Phung, Ho Ngoc Nam, Abhik Ghosh

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Physiology, Sociology, Cancer, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, ≳ 20 kcal, uncovered key shortcomings, substantial new insight, general picture appears, compounds studied indicate, classic pure functionals, axial ligand imidazole, authoritative information available, feno }< sup, 8 sup, 7 sup, 6 sup, 0 sup, sup >+sup, resonance hybrid description, earlier dft studies, local oxidation states, edge xas analysis, spin density onto, spin states, spin density

Relation: https://figshare.com/articles/journal_contribution/Local_Oxidation_States_in_FeNO_sup_6_8_sup_Porphyrins_Insights_from_DMRG_CASSCF_CASPT2_Calculations/24639540

الاتاحة: https://doi.org/10.1021/acs.inorgchem.3c03689.s001
https://figshare.com/articles/journal_contribution/Local_Oxidation_States_in_FeNO_sup_6_8_sup_Porphyrins_Insights_from_DMRG_CASSCF_CASPT2_Calculations/24639540