Results 1 to 10 of about 3,100,919 (260)

Structural data of phenanthrene-9,10-dicarbonitriles

Data in Brief, 2019
In this data article, we present the single-crystal XRD data of phenanthrene-9,10-dicarbonitriles. Detailed structure analysis and photophysical properties were discussed in our previous study, “Intermolecular interactions-photophysical properties ...
Anastasiia M. Afanasenko, Alexander S. Novikov, Tatiana G. Chulkova, Yakov M. Grigoriev, Ilya E. Kolesnikov, Stanislav I. Selivanov, Galina L. Starova, Andrey A. Zolotarev, Anatoly N. Vereshchagin, Michail N. Elinson   +9 more
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Crystal engineering in IUCrJ 2021: interactions, structures, properties

IUCrJ, 2022
Gautam R. Desiraju
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Controlling intermolecular base pairing in Drosophila germ granules by mRNA folding and its implications in fly development

Nature Communications
Drosophila germ granules are enriched with mRNAs critical for development. Within them, mRNAs cluster through intermolecular interactions that may involve base pairing.
Siran Tian, Hung Nguyen, Ziqing Ye, Silvi Rouskin, D. Thirumalai, Tatjana Trcek   +5 more
doaj   +1 more source

Theory of Intermolecular Interaction

Bulletin of the Chemical Society of Japan, 2002
Abstract The method of orbital interaction describing the intermolecular interaction is reformulated in terms of Green’s function. The eigen-values and eigen-vectors for individual molecules obtained by block diagonalization of the original Hamiltonian, are sufficient to predict the next step of the reaction.
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Engineering room‐temperature phosphorescence in purely organic materials through isomeric molecular packing and intermolecular interactions

FlexMat
Achieving control over room‐temperature phosphorescence (RTP) performance through delicate molecular engineering and intermolecular interactions is of great significance for advancing RTP research. In this study, a series of isomers containing up to four
Mengke Li, Zijian Chen, Kunkun Liu, Qianyu He, Shi‐Jian Su   +4 more
doaj   +1 more source

Intermolecular Covalent Interactions

, 2021
This thesis reports detailed quantum chemical investigations on the nature and strength of intermolecular interactions in DmZ•••A– complexes, mediated via atoms Z of groups 15–17 in the periodic table, based on quantitative Kohn-Sham molecular orbital theory.
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Nuclear magnetic resonance spectroscopic studies of the trihexyl (tetradecyl) phosphonium chloride ionic liquid mixtures with water

Open Chemistry, 2008
Dwan Jerrod, Durant Dan, Ghandi Khashayar   +2 more
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Intermolecular interactions of urea and water

Journal de Chimie Physique, 1991
Adopting the NEMO approach we have developed a urea-water potential suitable for molecular simulations. Method refinements are presented, with emphasis on the repulsion part. Our minimum energy geometry is similar to that of the semi- empirical potential of Kuharski and Rossky, but our complex is about 4 kcal/mol more stable.
P. O. Astrand, A. Wallqvist, G. Karlstrom   +2 more
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Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine

Acta Crystallographica Section C Crystal Structure Communications, 2002
Cyanodimethylarsine, [As(CH(3))(2)(CN)], and cyanodimethylstibine, [Sb(CH(3))(2)(CN)], have closely related, but not isomorphous, crystal structures containing XCN.XCN. chains. The N. As distance of 3.185 (3) A is slightly shorter than the expected van der Waals distance of 3.5 A, while the N.Sb distance of 2.862 (9) A, compared with the expected value
Doyle, Britton, Victor G, Young, Elmer O, Schlemper   +2 more
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The Intermolecular Interaction

1983
In a macroscopic system of hydrogen molecules the interaction between the molecules is responsible for the transition of the system with decreasing temperature from the gaseous into the liquid and ultimately into the solid state, and the properties of the solid are determined by this interaction and by its effect on the internal properties of the ...
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