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Shining New Light on Biological Systems: Luminescent Transition Metal Complexes for Bioimaging and Biosensing Applications. [PDF]

open access: yesChem Rev
Luminescence imaging is a powerful and versatile technique for investigating cell physiology and pathology in living systems, making significant contributions to life science research and clinical diagnosis.
Lee LC, Lo KK.
europepmc   +4 more sources

Luminescent First-Row Transition Metal Complexes

open access: yesJACS Au, 2021
Precious and rare elements have traditionally dominated inorganic photophysics and photochemistry, but now we are witnessing a paradigm shift toward cheaper and more abundant metals.
Christina Wegeberg, Oliver S. Wenger
doaj   +2 more sources

Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning.

open access: yesChemical Reviews, 2021
Transition-metal complexes are attractive targets for the design of catalysts and functional materials. The behavior of the metal-organic bond, while very tunable for achieving target properties, is challenging to predict and necessitates searching a ...
Aditya Nandy   +5 more
semanticscholar   +3 more sources

Quantitative wave function analysis for excited states of transition metal complexes [PDF]

open access: yes, 2017
The character of an electronically excited state is one of the most important descriptors employed to discuss the photophysics and photochemistry of transition metal complexes.
S. Mai   +5 more
semanticscholar   +5 more sources

Metal–CO Bonding in Mononuclear Transition Metal Carbonyl Complexes

open access: yesJACS Au, 2021
DFT calculations have been carried out for coordinatively saturated neutral and charged carbonyl complexes [M(CO)n]q where M is a metal atom of groups 2–10.
Gernot Frenking   +5 more
doaj   +2 more sources

Theoretical Studies on the Electronic Properties and the Chemical Bonding of Transition Metal Complexes using DFT and Ligand Field Theory [PDF]

open access: yesCHIMIA, 2005
The research activity within our laboratory of computational chemistry at the University of Fribourg is presented. In this review, a brief outline of a recently proposed Ligand Field Density Functional Theory (LFDFT) model for single nuclear and
Mihail Atanasov, Claude Daul
doaj   +3 more sources

Ultrafast Photophysics of Transition Metal Complexes

open access: yesAccounts of Chemical Research, 2015
The properties of transition metal complexes are interesting not only for their potential applications in solar energy conversion, OLEDs, molecular electronics, biology, photochemistry, etc. but also for their fascinating photophysical properties that call for a rethinking of fundamental concepts. With the advent of ultrafast spectroscopy over 25 years
M. Chergui
openaire   +4 more sources

Molecular Docking and Thermodynamic Studies of the Interactions between Aspirinate Complexes of Transition metals and Cyclooxygenase-2 Enzyme: Quantum Chemical Calculations based on the ONIOM method [PDF]

open access: yesTrends in Pharmaceutical Sciences, 2017
In the present research, molecular docking and thermodynamic properties of the transition metal complexes of aspirin were calculated against Cyclooxygenase-2 (COX-2) enzyme.
Maryam Mortazavi   +3 more
doaj   +3 more sources

Interaction of metal ions with Schiff bases having N2O2 donor sites: Perspectives on synthesis, structural features, and applications

open access: yesResults in Chemistry, 2023
Metal Schiff base complexes are versatile platforms for the development of potential catalysts, potent biomaterials, or luminescent compounds. Transition metals possess a diverse array of properties that can be manipulated to yield promising candidates ...
Beena K. Vernekar, Pradnya S. Sawant
doaj   +1 more source

The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes [PDF]

open access: yesJACS Au, 2021
This Perspective describes current computational efforts in the field of simulating photodynamics of transition metal complexes. We present the typical workflows and feature the strengths and limitations of the different contemporary approaches.
J. Zobel, L. González
semanticscholar   +1 more source

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