المؤلفون: Rahul Kumar Jinger (10169021), Heike Fliegl (1633645), Radovan Bast (1358490), Maria Dimitrova (768435), Susi Lehtola (1538800), Dage Sundholm (1594153)

مصطلحات موضوعية: Biophysics, Medicine, Physiology, Evolutionary Biology, Cancer, Inorganic Chemistry, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, shielding densities, C 6 H 6, GIMIC, paratropic current-density fluxes, Becke partitioning scheme, C 4 H 4, contribution

Relation: https://figshare.com/articles/journal_contribution/Spatial_Contributions_to_Nuclear_Magnetic_Shieldings/14061905

الاتاحة: https://doi.org/10.1021/acs.jpca.0c10884.s001

المؤلفون: Susi Lehtola (1538800), Maria Dimitrova (768435), Heike Fliegl (1633645), Dage Sundholm (1594153)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Physiology, Evolutionary Biology, Cancer, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, CCSD, magnetizabilitie, 3LYP, magnetizability density, CAM-B, approach, density susceptibilities, range-separated Florida functionals, KT, Recent Density Functionals, PBE, BHLYP, literature reference values, GIMIC

Relation: https://figshare.com/articles/journal_contribution/Benchmarking_Magnetizabilities_with_Recent_Density_Functionals/14054736

الاتاحة: https://doi.org/10.1021/acs.jctc.0c01190.s001

المؤلفون: Hiroyuki Kawashima (751280), Shusaku Ukai (6494180), Ryo Nozawa (4397536), Norihito Fukui (3800824), Garrett Fitzsimmons (11028474), Tim Kowalczyk (1441630), Heike Fliegl (1633645), Hiroshi Shinokubo (1349838)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Biotechnology, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, arrangement, porphyrin unit, Antiaromatic Cyclophanes Three-dime., nonstacked structures, interplanar, slipped-stacking conformation, displacement, Thermodynamic parameters, Determinant Factors, Ni, norcorrole cyclophane, diatropic ring, π- clouds, antiaromatic π-, bond length alternations, alkyl chains, crystal polymorphism, porphyrin cyclophane, energy decomposition analysis, norcorrole units, exchange repulsion, norcorrole cyclophane forms

Relation: https://figshare.com/articles/media/Determinant_Factors_of_Three-Dimensional_Aromaticity_in_Antiaromatic_Cyclophanes/14850192

الاتاحة: https://doi.org/10.1021/jacs.1c04348.s003

المؤلفون: Hiroyuki Kawashima (751280), Shusaku Ukai (6494180), Ryo Nozawa (4397536), Norihito Fukui (3800824), Garrett Fitzsimmons (11028474), Tim Kowalczyk (1441630), Heike Fliegl (1633645), Hiroshi Shinokubo (1349838)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Biotechnology, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, arrangement, porphyrin unit, Antiaromatic Cyclophanes Three-dime., nonstacked structures, interplanar, slipped-stacking conformation, displacement, Thermodynamic parameters, Determinant Factors, Ni, norcorrole cyclophane, diatropic ring, π- clouds, antiaromatic π-, bond length alternations, alkyl chains, crystal polymorphism, porphyrin cyclophane, energy decomposition analysis, norcorrole units, exchange repulsion, norcorrole cyclophane forms

Relation: https://figshare.com/articles/media/Determinant_Factors_of_Three-Dimensional_Aromaticity_in_Antiaromatic_Cyclophanes/14850201

الاتاحة: https://doi.org/10.1021/jacs.1c04348.s006

المؤلفون: Hiroyuki Kawashima (751280), Shusaku Ukai (6494180), Ryo Nozawa (4397536), Norihito Fukui (3800824), Garrett Fitzsimmons (11028474), Tim Kowalczyk (1441630), Heike Fliegl (1633645), Hiroshi Shinokubo (1349838)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Biotechnology, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, arrangement, porphyrin unit, Antiaromatic Cyclophanes Three-dime., nonstacked structures, interplanar, slipped-stacking conformation, displacement, Thermodynamic parameters, Determinant Factors, Ni, norcorrole cyclophane, diatropic ring, π- clouds, antiaromatic π-, bond length alternations, alkyl chains, crystal polymorphism, porphyrin cyclophane, energy decomposition analysis, norcorrole units, exchange repulsion, norcorrole cyclophane forms

Relation: https://figshare.com/articles/media/Determinant_Factors_of_Three-Dimensional_Aromaticity_in_Antiaromatic_Cyclophanes/14850198

الاتاحة: https://doi.org/10.1021/jacs.1c04348.s005

المؤلفون: Hiroyuki Kawashima (751280), Shusaku Ukai (6494180), Ryo Nozawa (4397536), Norihito Fukui (3800824), Garrett Fitzsimmons (11028474), Tim Kowalczyk (1441630), Heike Fliegl (1633645), Hiroshi Shinokubo (1349838)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Biotechnology, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, arrangement, porphyrin unit, Antiaromatic Cyclophanes Three-dime., nonstacked structures, interplanar, slipped-stacking conformation, displacement, Thermodynamic parameters, Determinant Factors, Ni, norcorrole cyclophane, diatropic ring, π- clouds, antiaromatic π-, bond length alternations, alkyl chains, crystal polymorphism, porphyrin cyclophane, energy decomposition analysis, norcorrole units, exchange repulsion, norcorrole cyclophane forms

Relation: https://figshare.com/articles/media/Determinant_Factors_of_Three-Dimensional_Aromaticity_in_Antiaromatic_Cyclophanes/14850204

الاتاحة: https://doi.org/10.1021/jacs.1c04348.s007

المؤلفون: Hiroyuki Kawashima (751280), Shusaku Ukai (6494180), Ryo Nozawa (4397536), Norihito Fukui (3800824), Garrett Fitzsimmons (11028474), Tim Kowalczyk (1441630), Heike Fliegl (1633645), Hiroshi Shinokubo (1349838)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Biotechnology, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, arrangement, porphyrin unit, Antiaromatic Cyclophanes Three-dime., nonstacked structures, interplanar, slipped-stacking conformation, displacement, Thermodynamic parameters, Determinant Factors, Ni, norcorrole cyclophane, diatropic ring, π- clouds, antiaromatic π-, bond length alternations, alkyl chains, crystal polymorphism, porphyrin cyclophane, energy decomposition analysis, norcorrole units, exchange repulsion, norcorrole cyclophane forms

Relation: https://figshare.com/articles/media/Determinant_Factors_of_Three-Dimensional_Aromaticity_in_Antiaromatic_Cyclophanes/14850189

الاتاحة: https://doi.org/10.1021/jacs.1c04348.s002