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Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.04.097
Abstract: Abstract Experimental and theoretical conformational study of repaglinide in chloroform and dimethyl sulfoxide was investigated. By applying potential energy scanning (PES) at B3LYP/6-311++g** and B3LYP-D3/6-311++g** level of theory on rotatable single bonds, four stable conformers…
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Keywords:
structure conformation;
repaglinide solvent;
solvent dependent;
structure ... See more keywords
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Published in 2019 at "Nano letters"
DOI: 10.1021/acs.nanolett.9b04418
Abstract: Bending and twisting around carbon-carbon single bonds are ubiquitous in natural and synthetic polymers. Force-induced changes were so far not measured at the single-monomer level, owing to limited ways to apply local forces. We quantified…
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Keywords:
around single;
bonds mechanical;
twisting around;
sequential bending ... See more keywords
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Published in 2020 at "Organometallics"
DOI: 10.1021/acs.organomet.0c00102
Abstract: Allylic dimetalated complexes [M2C(vinyl)]+ (M = Au(IPr) and Cr(CO)5–) incorporate a new coordination mode of carbon. Digold complexes of this type have recently been detected experimentally. The i...
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Keywords:
interface single;
bonding interface;
single bonds;
bonds double ... See more keywords