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Published in 2025 at "Chemphyschem"
DOI: 10.1002/cphc.202500648
Abstract: Fluorinated cyclohexanes are essential building blocks for high‐performance molecules, including ion carriers and liquid crystals. This quantum‐chemical study evaluates the relative energies of all difluorinated cyclohexane isomers, highlighting key intramolecular interactions as thermodynamic modulators. The…
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Keywords:
cyclohexanes energetics;
intra intermolecular;
difluorinated cyclohexanes;
intermolecular interactions ... See more keywords
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Published in 2021 at "Molecular cell"
DOI: 10.1016/j.molcel.2021.10.003
Abstract: Viral RNA-dependent RNA polymerases (RdRps) are a target for broad-spectrum antiviral therapeutic agents. Recently, we demonstrated that incorporation of the T-1106 triphosphate, a pyrazine-carboxamide ribonucleotide, into nascent RNA increases pausing and backtracking by the poliovirus…
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Keywords:
intra intermolecular;
template switching;
pyrazine carboxamide;
intermolecular template ... See more keywords
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Published in 2019 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.10.081
Abstract: Abstract During the last decade, the naturally occurring yellow Enone has drawn considerable attention due to its wide applications in biological, medical and pharmaceutical phenomena. The properties of molecular surrounding media can modify its various…
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Keywords:
solvation;
intermolecular interactions;
intra intermolecular;
enone ... See more keywords
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Published in 2017 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b01099
Abstract: High surface area macroporous chalcogenide aerogels (chalcogels) MAu2GeS4 (M = Co, Ni) were prepared from K2Au2GeS4 precursor and Co(OAc)2 or NiCl2 by one-pot sol-gel metathesis reactions in aqueous media. The MAu2GeS4-chalcogels were screened for catalytic…
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Keywords:
intra intermolecular;
heterogeneous intra;
intermolecular hydroamination;
mau2ges4 chalcogel ... See more keywords
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Published in 2022 at "Macromolecules"
DOI: 10.1021/acs.macromol.1c02607
Abstract: The molecular dynamics of a copolymer composed of methyl methacrylate (MMA) and (2-acetoacetoxy)ethyl methacrylate (AEMA) monomers and the influence on it of intra- to intermolecular cross-links of AEMA units with ethylenediamine (EDA) was studied by…
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Keywords:
methacrylate;
cross linking;
intermolecular cross;
cross ... See more keywords
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Published in 2025 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.5c17131
Abstract: Disclosed here is a transition-metal-catalyzed enantioselective ring-opening of azetidiniums. It also represents the first demonstration of catalytic enantioselective intramolecular desymmetrization of prochiral azetidiniums. With a cheap copper salt as the catalyst and a commercially available…
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Keywords:
intermolecular desymmetrization;
desymmetrization;
catalyzed enantioselective;
enantioselective intra ... See more keywords
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Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc02840a
Abstract: Herein, we have reported the first example of both intra- and intermolecular [2+2] cycloaddition of the electron-rich indoles and unactivated aryl alkynes promoted by the combination of Fe(NO3)3 and HNO3, which highlights efficient and selective…
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Keywords:
fused indolines;
cyclobutene fused;
intermolecular cycloaddition;
aryl alkynes ... See more keywords
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Published in 2022 at "Molecules"
DOI: 10.3390/molecules27072299
Abstract: The intra- and intermolecular interactions of selected quinolone carboxylic acid derivatives were studied in monomers, dimers and crystals. The investigated compounds are well-recognized as medicines or as bases for further studies in drug design. We…
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Keywords:
carboxylic acid;
selected quinolone;
quinolone carboxylic;
intermolecular interactions ... See more keywords