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Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.04.004
Abstract: Abstract The nature of the solvent and composition of the solution in which optical absorption spectra are acquired can substantially affect the structures of analytes as well as spectra and relative intensities of spectral features.…
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Keywords:
absorption;
dft;
absorption spectra;
solvent dependence ... See more keywords
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Published in 2019 at "Inorganica Chimica Acta"
DOI: 10.1016/j.ica.2019.05.017
Abstract: Abstract Several ditopic ligands containing two tridentate bishydrazone coordination subunits and their Zn(II) and Cd(II) [2 × 2] grid-type complexes were prepared and their photoluminescent properties studied. A special attention was devoted to the influence of the…
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Keywords:
grid type;
emission;
electronic absorption;
absorption emission ... See more keywords
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Published in 2017 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2017.04.015
Abstract: Abstract Two bis-tridentate pincer complexes [Ru(H 2 bip)(Mebib)](PF 6 ) 2 ( 1 (PF 6 ) 2 ) and [Ru(H 2 bip)(H 2 bib)](PF 6 ) 2 ( 2 (PF 6 ) 2 ) were…
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Keywords:
bis tridentate;
bis;
electronic absorption;
tridentate pincer ... See more keywords
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Published in 2025 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.5c02164
Abstract: Mixed-ligand metallocene complexes serve as crucial precursors in organometallic actinide chemistry. However, a systematic and comprehensive understanding of how ligands influence the electronic structures and physicochemical properties of these compounds remains scarce. Hence, relativistic density…
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Keywords:
chemistry;
absorption spectra;
metallocene complexes;
absorption ... See more keywords
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Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00325
Abstract: Band shape is an essential ingredient in the simulation of electronic absorption spectra. The excitation of multiple series of vibrational levels during an electronic excitation is a main contributor to band shapes. Here we present…
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Keywords:
band shape;
absorption spectra;
franck condon;
band ... See more keywords