المؤلفون: Antoine Juneau (3363884), Taylor O. Hope (5228573), Jason Malenfant (7547258), Mihai Mesko (11226655), Jacob McNeill (12029518), Mathieu Frenette (1342926)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Biotechnology, Infectious Diseases, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, quenching rate constants, following photon absorption, density functional theory, common mechanistic outcome, calculations offered insight, transfer rate constants, various organic substrates, standard reduction potentials, calculated ionization energies, follow electron transfer, q , predict potential reagents, reduction potentials, transfer rates, electron transfer, silico <, rapidly predict, k <, organic synthesis, organic reagents

Relation: https://figshare.com/articles/journal_contribution/Methods_to_Predict_Potential_Reagents_in_Iridium-Based_Photoredox_Catalysis_Calibrated_with_Stern_Volmer_Quenching_Rate_Constants/19103536

الاتاحة: https://doi.org/10.1021/acscatal.1c04740.s001

المؤلفون: Antoine Juneau (3363884), Mathieu Frenette (1342926)

مصطلحات موضوعية: Biophysics, Biochemistry, Cancer, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, host cavity size, ethyl viologen dimers, energy decomposition analysis, density functional theory, bond dissociation energy, 11 functionals tested, 1 ± 0, bonding energy showed, remaining vibrational modes, d3 dispersion effect, using resonance raman, cyclodextrin addition caused, covalent pancake bonding, 2017 ,, parallel pancake bonding, covalent bonding, vibrational spectra, using variable, raman identification, dispersion effects, 129 ,<, two π, two forms

Relation: https://figshare.com/articles/journal_contribution/Exploring_Curious_Covalent_Bonding_Raman_Identification_and_Thermodynamics_of_Perpendicular_and_Parallel_Pancake_Bonding_Pimers_of_Ethyl_Viologen_Radical_Cation_Dimers/16649481

الاتاحة: https://doi.org/10.1021/acs.jpcb.1c06283.s001

المؤلفون: Antoine Juneau (3363884), Mathieu Frenette (1342926)

مصطلحات موضوعية: Biophysics, Medicine, Pharmacology, Cancer, Infectious Diseases, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, fluorenone, RMSE, Raman spectra, anion, Raman band shifts, 3LYP, 65 DFT-predicted vibrational modes, Persistent Radical Anions, Delocalized Radical Systems, cm, molecule, 67 DFT-predicted vibrational modes

Relation: https://figshare.com/articles/journal_contribution/Raman_Spectra_of_Persistent_Radical_Anions_from_Benzophenone_Fluorenone_2_2_-Bipyridyl_4_4_-Di-_i_tert_i_-butyl-2_2_-dipyridyl_and_Anthracene_Excellent_Agreement_between_DFT_and_Experiment_for_Highly_Delocalized_Radical_Systems/13724143

الاتاحة: https://doi.org/10.1021/acs.jpcb.0c04742.s001

المؤلفون: Antoine Juneau (3363884), Taylor O. Hope (5228573), Jason Malenfant (7547258), Mihai Mesko (11226655), Jacob McNeill (12029518), Mathieu Frenette (1342926)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Biotechnology, Infectious Diseases, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, quenching rate constants, following photon absorption, density functional theory, common mechanistic outcome, calculations offered insight, transfer rate constants, various organic substrates, standard reduction potentials, calculated ionization energies, follow electron transfer, q , predict potential reagents, reduction potentials, transfer rates, electron transfer, silico <, rapidly predict, k <, organic synthesis, organic reagents

Relation: https://figshare.com/articles/media/Methods_to_Predict_Potential_Reagents_in_Iridium-Based_Photoredox_Catalysis_Calibrated_with_Stern_Volmer_Quenching_Rate_Constants/19103539

الاتاحة: https://doi.org/10.1021/acscatal.1c04740.s002

المؤلفون: Antoine Juneau (3363884), Mathieu Frenette (1342926)

مصطلحات موضوعية: Biophysics, Biochemistry, Cancer, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, host cavity size, ethyl viologen dimers, energy decomposition analysis, density functional theory, bond dissociation energy, 11 functionals tested, 1 ± 0, bonding energy showed, remaining vibrational modes, d3 dispersion effect, using resonance raman, cyclodextrin addition caused, covalent pancake bonding, 2017 ,, parallel pancake bonding, covalent bonding, vibrational spectra, using variable, raman identification, dispersion effects, 129 ,<, two π, two forms

Relation: https://figshare.com/articles/media/Exploring_Curious_Covalent_Bonding_Raman_Identification_and_Thermodynamics_of_Perpendicular_and_Parallel_Pancake_Bonding_Pimers_of_Ethyl_Viologen_Radical_Cation_Dimers/16649484

الاتاحة: https://doi.org/10.1021/acs.jpcb.1c06283.s002