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Published in 2017 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2017.09.004
Abstract: Abstract Two new dirhenium compounds Re2(CO)8[μ-η2-1,3-C2B10H10(1-SCH3)](μ-H), 1 (3.2 % yield) and Re2(CO)8[μ-η2-1,4-C2B10H10(1-SCH3)](μ-H), 2 (31 % yield) were obtained from the reaction of closo-o-(1-SCH3)C2B10H11 with Re2(CO)8[μ-η2-C(H)C(H)Bun](μ-H) in an octane solution heated to reflux. Both compounds contain…
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Keywords:
re2;
thioether carboranes;
chemistry;
sch3 ... See more keywords
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Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00485
Abstract: Iron-sulfur clusters play important roles in biology as parts of electron-transfer chains and catalytic cofactors. Here, we report a detailed computational analysis of a structural model of the simplest natural iron-sulfur cluster of rubredoxin and…
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Keywords:
bonding properties;
sch3 complexes;
bond;
quantitative account ... See more keywords
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Published in 2019 at "Molecular Simulation"
DOI: 10.1080/08927022.2019.1630736
Abstract: ABSTRACT In this paper, we present a density-functional theory with a particle swarm optimisation algorithm to research the progress of the ligand effects of the gold (Au) structures and growth process of the [Au1L2]n, [Au2L3]n…
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Keywords:
ch3;
ligand effects;
sch3;
ligand ... See more keywords