Works (2)
Updated: July 5th, 2023 15:40
2016 journal article
Quantum Dynamics Simulations of Excited State Energy Transfer in a Zinc-Free-Base Porphyrin Dyad
JOURNAL OF PHYSICAL CHEMISTRY A, 120(41), 8075–8084.
TL;DR:
To successfully simulate the EET process, it is important to include coupling between nuclear and electronic degrees of freedom in the QD simulation, account for Coulomb coupling between the electron and hole wavepackets, and parametrize the extended Hückel model Hamiltonian employed in theQD simulations with respect to the DFT.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science; OpenAlex)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2015 journal article
Electronic Structure and Absorption Properties of Strongly Coupled Porphyrin-Perylene Arrays
JOURNAL OF PHYSICAL CHEMISTRY A, 119(38), 9879–9888.
MeSH headings : Electrons; Energy Transfer; Light; Molecular Conformation; Molecular Structure; Perylene / chemistry; Photochemistry; Porphyrins / chemistry; Quantum Theory
TL;DR:
This work employs density functional theory (DFT) and time-dependent DFT to investigate the unique UV-vis absorption properties exhibited by a series of ethynyl-linked porphyrin-perylene arrays that were previously synthesized and characterized spectroscopically.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Sources: Web Of Science, ORCID
Added: August 6, 2018
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