Results 1 to 10 of about 45,164 (261)
A Theoretical Study on Laser Cooling Feasibility of Group IVA Hydrides XH (X = Si, Ge, Sn, and Pb): The Role of Electronic State Crossing [PDF]
Frontiers in Chemistry, 2020 The feasibility of direct laser cooling of SiH, GeH, SnH, and PbH is investigated and assessed based upon first principles. The internally contracted multi-reference configuration interaction method with the Davidson correction is applied.
Donghui Li +7 more
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Computational Study of the Photophysical Properties and Electronic Structure of Gold (III) Complexes with Different Groups [PDF]
ChemistryOpenA series of novel delayed phosphorescent gold(III) complexes, Au(EDG)(EAG) (where EDG = electron‐donating group and EAG = electron‐accepting group), have been reported, exhibiting stable and high‐performance luminescence. The thermally stimulated delayed
Caijie Bu +4 more
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Toward Bright Polymetallic Biopolymer-Protected Luminescent Nanoclusters [PDF]
MoleculesPolymetallic nanoclusters (NCs) offer a powerful route to brighter and more tunable luminescent materials, while biopolymer ligands provide additional advantages for sensing and bioimaging. However, the mechanisms responsible for luminescence enhancement
Andrey A. Buglak +4 more
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Frontiers in Chemistry, 2021 By means of highly accurate ab initio calculations, we identify two excellent ultracold molecular candidates from group VA hydrides. We find that NH and PH are suitable for the production of ultracold molecules, and the feasibility and advantage of two ...
Donghui Li +3 more
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THE FULL MAPPING OF LOW-LYING EXCITED STATE RELAXATION DYNAMIC PATHWAYS FOR ACETOPHENONE
Studia Universitatis Babes-Bolyai Chemia, 2021 Several relaxation pathways of the low-lying electronic excited state dynamics for acetophenone including also the singlet-triplet intersystem crossings were studied.
Attila BENDE
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Elucidating complex triplet-state dynamics in the model system isopropylthioxanthone
iScience, 2022 Summary: We introduce techniques for probing the dynamics of triplet states. We employ these tools, along with conventional techniques, to develop a detailed understanding of a complex chemical system: a negative-tone, radical photoresist for multiphoton
Nikolaos Liaros +11 more
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The Innovation, 2023 The modulation of topological electronic state by an external magnetic field is highly desired for condensed-matter physics. Schemes to achieve this have been proposed theoretically, but few can be realized experimentally.
Jianlei Shen +17 more
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Investigation of the spin-forbidden process in thymine [PDF]
Hemijska Industrija, 2012 The intersystem crossing rate from the lowest singlet to the lowest triplet state of thymine was studied by means of the ab initio methods. The rate was calculated employing the time-dependent approach based on the correlation function.
Etinski Mihajlo R.
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Effect of temperature on rate of the spin-forbidden transition in uracil and thymine [PDF]
Journal of the Serbian Chemical Society, 2013 The intersystem crossing rates of uracil and thymine molecules in interaction with the heat bath were studied by means of the ab initio methods. The rates were calculated employing the time-dependent approach based on the correlation function.
Etinski Mihajlo
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Frontiers in Bioengineering and Biotechnology, 2022 Low-lying electronic excited states and their relaxation pathways as well as energetics of the crosslinking reaction between uracil as a model system for pyrimidine-type building blocks of DNA and RNA and benzene as a model system for aromatic groups of ...
Attila Bende +3 more
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