Results 201 to 210 of about 135,084 (261)

Electrolyte Design Chart Reframed by Intermolecular Interactions for High-Performance Li-Ion Batteries. [PDF]

JACS Au
Huang R, Guo X, Chen B, Ma M, Chen Q, Zhang C, Liu Y, Kong X, Fan X, Wang L, Ling M, Pan H.   +11 more
europepmc   +1 more source

Intermolecular Interactions between Aromatic Amino Acids Investigated by Ultraviolet Photodissociation Spectroscopy of Hydrogen-Bonded Clusters of Histidine and Tryptophan Enantiomers. [PDF]

Mass Spectrom (Tokyo)
Kitahashi K, Fujihara A.
europepmc   +1 more source

Enhancement of the gelling properties of Aristichthys nobilis: Insights into intermolecular interactions between okra polysaccharide and myofibrillar protein. [PDF]

Curr Res Food Sci
Wang X, Li M, Shi T, Monto AR, Yuan L, Jin W, Gao R.   +6 more
europepmc   +1 more source

Intermolecular Interactions between Aldehydes and Alcohols: Conformational Equilibrium and Rotational Spectra of Acrolein-Methanol Complex. [PDF]

Molecules
Lv D, Sundelin D, Maris A, Evangelisti L, Geppert WD, Melandri S.   +5 more
europepmc   +1 more source

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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
openaire   +1 more source

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 ...
openaire   +1 more source

Intermolecular Interaction in Water Hexamer

The Journal of Physical Chemistry A, 2010
The origin of the intermolecular interaction, especially the many-body interaction, in eight low-lying water hexamer structures (prism, cage, book-1, book-2, cyclic-chair, bag, cyclic-boat-1, and cyclic-boat-2) is unraveled using the localized molecular orbital energy decomposition analysis (LMO-EDA) method at the second-order Møller-Plesset ...
Yiming, Chen, Hui, Li
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Perturbation analyses of intermolecular interactions

Physical Review E, 2011
Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations.
Yohei M, Koyama, Tetsuya J, Kobayashi, Hiroki R, Ueda   +2 more
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Characterization of Amide–Alkanediol Intermolecular Interactions

The Journal of Physical Chemistry B, 2015
The properties of formamide + 1,2-alkanediol binary liquid systems were studied both at the macro- and microscopic levels using a combined experimental and computational methodology. Physicochemical properties, infrared spectroscopy, and solvatochromic studies together with classic molecular dynamics and quantum chemistry calculations allowed the main ...
Alcalde, Rafael, García, Gregorio, Trenzado, José Luis, Atilhan, Mert, Aparicio, Santiago   +4 more
openaire   +3 more sources