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Density Functional Study of Chemical Reaction Equilibrium for Dimerization Reactions in Slit and Cylindrical Nanopores
reaction equilibrium in slit and cylindrical nanopores. We use a density functional, transitionlayering, and capillary condensation on a dimerization reaction that mimics the nitric oxide dimerization reaction, 2 NO = (NO)...
CF - Fyzikální chemie a teoretická chemie
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Chemical Reaction Equilibrium in Nanoporous Materials: NO Dimerization Reaction in Carbon Slit Nanopores
on chemical reaction equilibrium in nanoporous materials.We use the reaction ensemble, bulk pressure, and capillary condensation on the nitric oxide dimerization reaction in a model carbon slit nanopore in equilibrium with...
CF - Fyzikální chemie a teoretická chemie
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
A Note on Stability of a Dopant for Perovskite Solar Cells: Dimerization of 2,2'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine Iodine
) dimerization is described in the terms of the standard Gibbs energy and the related dimerization equilibrium constant. Comparisons are made with the water dimer, commonly used as a model system for hydrogen-bond ...
Physical chemistry
- 2023 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
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Molecular-level Simulations of Chemical Reaction Equilibrium for Nitric Oxide Dimerization Reaction in Disordered Nanoporous Carbons
We report a molecular-level simulation study of the effects of confinement on chemical reaction equilibrium for the NO dimerization reaction, 2NO=NO)2, in disordered nanoporous carbons. We use the Reaction Ensemble Monte Carlo (RxMC...
CF - Fyzikální chemie a teoretická chemie
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Cooperativity between subunits is essential for high affinity binding of N-acetylhexosamines to dimeric soluble and dimeric cellular forms of human CD69
Binding of GlcNAc to dimeric human CD69 was followed by equilibrium dialysis withopening of dimer structure. However, monomeric CD69 obtained by mutating Q93 and R134 at dimer interface showed much lower affinity a...
CE - Biochemie
- 2010 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Oligomeric state of hypoxanthine-guanine phosphoribosyltransferase from Mycobacterium tuberculosis
-ribosyl-1pyrophosphate (PRib-PP) to perturb the dimer tetramer equilibrium position of the displacement of the equilibrium position towards dimer that is affected by removing MgCl2Sedimentation equilibrium
Organic chemistry
- 2017 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
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Effects of Confinement on Chemical Reaction Equilibrium in Nanoporous Materials
on chemical reaction equilibrium in nanoporous materials. We use the Reaction Ensemble and capillary condensation on the nitric oxide dimerization reaction in a model carbon slit nanopore in equilibrium with a bulk reservo...
CF - Fyzikální chemie a teoretická chemie
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
The dimerization study of some cationic monomethine cyanine dyes by chemometrics method
The thermodynamics of the monomer-dimer equilibrium of five cationic monomethine cyanine dyes has been studied by means of UV-vis spectroscopy and advanced chemometrics methods. The dimerization constants were determined by...
CF - Fyzikální chemie a teoretická chemie
- 2012 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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Interatomic Electronic Decay Driven by Nuclear Motion
by a single photon in a neon-helium dimer is investigated. The excited neon atom relaxes atom and ionizes it. We show that the decay process is only possible if the dimer's bond stretches up to 6.2 angstrom, i.e., to more than twic...
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 2010 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Highly accurate equilibrium structure of the C2h symmetric N1-to-O2 hydrogen-bonded uracil-dimer
The highly accurate ab initio equilibrium geometry of the hydrogen-bonded uracil dimer is derived using a composite geometry extrapolation scheme based on all-electron, complete basis set extrapolated MOller-Plesset perturbation the...
Physical chemistry
- 2018 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
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