المؤلفون: Changhae Andrew Kim (11330898), Troy Van Voorhis (7471508)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Evolutionary Biology, Computational Biology, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, two distinct subpopulations, finding reactants next, field steady state, dominant hole scavengers, consider representative pairs, average pairwise correlation, calibrate rate constants, 2 , heterogeneous pair approximation, rate constants ), rate constants, pair approximation, pa ), dynamic correlation, pair makes, stretched exponentials, static disorder, simulated kinetics, significant role, several species, quite insensitive, photocatalytic processes, observed kinetics

Relation: https://figshare.com/articles/journal_contribution/Heterogeneous_Pair_Approximation_of_Methanol_Oxidation_on_TiO_sub_2_sub_Reveals_Two_Reaction_Pathways/19022534

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c09932.s001

المؤلفون: Changhae Andrew Kim (11330898), Troy Van Voorhis (7471508)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Evolutionary Biology, Sociology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, TADF rate enhancement, TADF rate, submicrosecond time scales, OLED, use time-dependent density, TDDFT, DA

Relation: https://figshare.com/articles/journal_contribution/Maximizing_TADF_via_Conformational_Optimization/16439196

الاتاحة: https://doi.org/10.1021/acs.jpca.1c05104.s001

المؤلفون: Katherine E. Shulenberger (5523665), Sophie C. Coppieters ‘t Wallant (11427466), Megan D. Klein (11427469), Alexandra R. McIsaac (1522201), Tamar Goldzak (5373041), David B. Berkinsky (11427472), Hendrik Utzat (1664266), Ulugbek Barotov (11427475), Troy Van Voorhis (7471508), Moungi G. Bawendi (1368435)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Cancer, Inorganic Chemistry, Infectious Diseases, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, specific correlation measurements, enables direct measurements, control carrier separation, triply excited state, sphere calculations demonstrate, potentially control emission, triexciton recombination pathway, recombination pathway, emission observed, results provide, potential avenue, nanocrystal luminescence, multiexciton states, luminescence applications, like state, indirect extraction, increased need, extended particle, excitation fluxes

Relation: https://figshare.com/articles/journal_contribution/Resolving_the_Triexciton_Recombination_Pathway_in_CdSe_CdS_Nanocrystals_through_State-Specific_Correlation_Measurements/16613776

الاتاحة: https://doi.org/10.1021/acs.nanolett.0c05109.s001

المؤلفون: Hong-Zhou Ye (6634700), Henry K. Tran (7133342), Troy Van Voorhis (7471508)

مصطلحات موضوعية: Biophysics, Medicine, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, excitation energy, Accurate Electronic Excitation Energies, wave function, fragment embedding method, Numerical simulations show, excitation energies, bootstrap embedding, fragment embedding methods, fragment embedding, Bootstrap Embedding Fragment embedding, chemical systems, ground states, FVAS, dye molecules, electron correlation methods, charge-transfer characters

Relation: https://figshare.com/articles/journal_contribution/Accurate_Electronic_Excitation_Energies_in_Full-Valence_Active_Space_via_Bootstrap_Embedding/14551242

الاتاحة: https://doi.org/10.1021/acs.jctc.0c01221.s001