Cyclo [18] carbon including zero-point motion: ground state, first singlet and triplet excitations, and hole transfer
Recent synthesis of cyclo [18] carbon has spurred increasing interest in carbon rings. We
focus on a comparative inspection of ground and excited states, as well as of hole transfer …
focus on a comparative inspection of ground and excited states, as well as of hole transfer …
Effects of structural dynamics on charge carrier transfer in B-DNA: a combined MD and RT-TDDFT study
Hole transfer along the axis of duplex DNA has been the focus of physical chemistry
research for decades, with implications in diverse fields, from nanotechnology to cell …
research for decades, with implications in diverse fields, from nanotechnology to cell …
[HTML][HTML] Electronic structure, absorption spectra and oxidation dynamics in polyynes and dicyanopolyynes
L Chalkopiadis, K Lambropoulos… - Physical Chemistry …, 2024 - pubs.rsc.org
The advent of femtosecond to attosecond experimental tools has made now possible to
study such ultrafast carrier dynamics, eg, the spatial and temporal charge density evolution …
study such ultrafast carrier dynamics, eg, the spatial and temporal charge density evolution …
Re-excitation dynamics of a “cold” charge transfer state at organic donor/acceptor interfaces
M Zhang, X Shi, X Mu, L Wang, K Gao - Applied Physics Letters, 2021 - pubs.aip.org
By employing a femtosecond electric pump pulse, we theoretically investigate the re-
excitation dynamics of a “cold” charge transfer (CCT) state at organic donor/acceptor (D/A) …
excitation dynamics of a “cold” charge transfer (CCT) state at organic donor/acceptor (D/A) …
[HTML][HTML] Hole Transfer in Open Carbynes
We investigate hole transfer in open carbynes, ie, carbon atomic nanowires, using Real-
Time Time-Dependent Density Functional Theory (RT-TDDFT). The nanowire is made of N …
Time Time-Dependent Density Functional Theory (RT-TDDFT). The nanowire is made of N …
[PDF][PDF] Hole Transfer in Open Cumulenic and Polyynic Carbyne Chains
We studied in Simserides (2020a) and Simserides (2020b) hole transfer in open atomic,
cumulenic and polyynic, carbon nanowires (Cretu (2013), Milani (2017)), employing Real …
cumulenic and polyynic, carbon nanowires (Cretu (2013), Milani (2017)), employing Real …
Hole transfer in open cumulenic and polyynic carbyne chains
Κ Σιμσερίδης, Α Μόρφης, Κ Λαμπρόπουλος - 2021 - repository-empedu-rd.ekt.gr
We studied in Simserides (2020a) and Simserides (2020b) hole transfer in open atomic,
cumulenic and polyynic, carbon nanowires (Cretu (2013), Milani (2017)), employing Real …
cumulenic and polyynic, carbon nanowires (Cretu (2013), Milani (2017)), employing Real …
[PDF][PDF] Maestro en Ciencias
HHV González - 2003 - ru.dgb.unam.mx
Uno de los principales problemas con la adecuada evaluación de las contribuciones
antropogénicas y naturales de elementos traza en el agua de mar, es su inherente …
antropogénicas y naturales de elementos traza en el agua de mar, es su inherente …