المؤلفون: Marilena Mantela (10655485), Andreas Morphis (8905736), Konstantinos Lambropoulos (8905739), Constantinos Simserides (8905733), Rosa Di Felice (8531727)

مصطلحات موضوعية: Biophysics, Biochemistry, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Computational approaches, results show, hole population, results need, charge transfer, high-throughput predictions, tight-binding method, charge transfer properties, nanosecond time scale, transfer mechanisms, MD, duplex DNA, RT-TDDFT Study Hole transfer, chemistry research, time-dependent density, hole transfer, time frame, Structural Dynamics, B-DNA, Charge Carrier Transfer, GG dimers, cell oxidative damage, charge transfer process, RT-TDDFT results

Relation: https://figshare.com/articles/journal_contribution/Effects_of_Structural_Dynamics_on_Charge_Carrier_Transfer_in_B_DNA_A_Combined_MD_and_RT-TDDFT_Study/14428774

الاتاحة: https://doi.org/10.1021/acs.jpcb.0c11489.s001

المؤلفون: Fahri Alkan (1436140), Christine M. Aikens (1272738)

مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Physical Sciences not elsewhere classified, overlap strength, charge-transfer plasmon, Ag 10 dimer, CTP mode, monomeric energy levels, assembly, Ag 10, nanorod assemblies, time-dependent density, interparticle distance, wave-function overlap, model systems, nm, symmetry-broken orientations, Ag 59, TDDFT results

Relation: https://figshare.com/articles/journal_contribution/Understanding_the_Effect_of_Symmetry_Breaking_on_Plasmon_Coupling_from_TDDFT/14680770

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c02707.s001