Chlorophyll spectroscopy: conceptual basis, modern high-resolution approaches, and current challenges

Autor: Jeffrey R. Reimers, Margus Rätsep, Juha Matti Linnanto, Arvi Freiberg

Publikováno v: Proceedings of the Estonian Academy of Sciences, Vol 71, Iss 2, Pp 127-164 (2022)

The conceptual formalism to understand the properties and function of chlorophylls in the gas and solution phases as well as in protein matrices is reviewed. This formalism is then applied to interpret modern high-resolution spectroscopic data, resul

Externí odkaz: https://doaj.org/article/f10cfea3fba34df885d13ef06bf05467

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Dinuclear Cu(I) Halides with Terphenyl Phosphines: Synthesis, Photophysical Studies, and Catalytic Applications in CuAAC Reactions

Autor: João C. Lima, Riccardo Peloso, Mani Outis, João Avó, Inmaculada Gata, César A. T. Laia, M. Carmen Nicasio, Celia Maya, Álvaro Beltrán

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
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Several dinuclear terphenyl phosphine copper(I) halide complexes of composition [CuX(PR2Ar′)]2 (X = Cl, Br, I; R = hydrocarbyl, Ar′ = 2,6-diarylterphenyl radical), 1-5, have been isolated from the reaction of CuX with 1 equiv of the phosphine lig

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ed2fbc575f48e0a52eeca9144670d1f
https://doi.org/10.1021/acs.inorgchem.0c01397

Ground-to-excited derivative couplings for the density functional-based tight-binding method: semi-local and long-range corrected formulations

Autor: Thomas A. Niehaus

Publikováno v: Theoretical Chemistry Accounts: Theory, Computation, and Modeling
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2021, 140 (4), pp.34. ⟨10.1007/s00214-021-02735-y⟩

International audience; A derivation of non-adiabatic coupling vectors for the density functional-based tight-binding method (DFTB) between ground and excited states is presented. The analytical result is valid both for semi-local and long-range corr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4d619077292e6d48f0705c8124c471c
https://hal.archives-ouvertes.fr/hal-03188413