Frontiers in Chemistry, 2019 Three stereoisomers of Tröger's Base-based dimeric macrocycles Trögerophane 1 (T1) including one pair of enantiomers (rac-T1) and one meso isomer (R2NS2N-T1) were obtained and fully characterized by X-ray analysis.
Yuan Chen +9 more
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N-Aryl iminochromenes inhibit cyclooxygenase enzymes via π-π stacking interactions and present a novel class of anti-inflammatory drugs. [PDF]
RSC Adv, 2021 Nguyen HT +6 more
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(5Z)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione
IUCrData, 2016 In the crystal of the title molecule, C16H17NO6S, there are three sets of intermolecular C—H...O hydrogen bonds, as well as two sets of intermolecular C—H...π(ring) interactions.
Joel T. Mague +5 more
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cis-1,4 Selective Coordination Polymerization of 1,3-Butadiene and Copolymerization with Polar 2-(4-Methoxyphenyl)-1,3-butadiene by Acenaphthene-Based α-Diimine Cobalt Complexes Featuring Intra-Ligand π-π Stacking Interactions. [PDF]
Polymers (Basel), 2021 Wang B, Liu H, Tang T, Zhang X.
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The use of a molecular balance derived from 5,5′-bipyrazole to calculate π-π stacking interactions
, 2013 Theoretical calculations have been carried out on 3,3′-dimethyl-1,1′-diphenyl-5,5′-bi-1H-pyrazole to evaluate its usefulness as a molecular balance to measure π-π stacking.
Elguero, José +2 more
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Fabrication of BP2T functionalized graphene via non-covalent π-π stacking interactions for enhanced ammonia detection. [PDF]
RSC Adv, 2021 Li H +7 more
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Applications of Computational Protein Design [PDF]
, 2006 Computational protein design determines the amino acid sequence(s) that will adopt a desired fold. It allows the sampling of a large sequence space in a short amount of time compared to experimental methods.
Mao, Jessica
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Crystal structure of 3-(3,4-dimethylanilino)-2-benzofuran-1(3H)-one
Acta Crystallographica Section E: Crystallographic Communications, 2015 In the title compound, C16H15NO2, the 2-benzofuran-1(3H)-one and 3,4-dimethylaniline fragments are oriented with a dihedral angle of 89.12 (5)°. N—H...O hydrogen-bond interactions join molecules into C(6) chains propagating along the a axis. In addition,
Muhammad Salim +3 more
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Propostas didáticas para o ensino do número π [PDF]
, 2013 TCC (graduação) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas, Curso de Matemática.Este Trabalho de Conclusão de Curso trata de propostas didáticas para o ensino do número π na educação básica.
Machado, Djeison
core
, 2016 Density functional (DFT) studies and hybrid QM/MM-DFT calculations demonstrate the importance of π−π stacking interactions in determining the structural features of two exemplary d8 palladium complexes, PdBr(p-NCC6H4)({S}-MeO-Biphep), 1, and PdBr(C6F5 ...
Paul S. Pregosin (2275423) +3 more
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