نتایج جستجو برای: intermolecular mechanics
تعداد نتایج: 152061 فیلتر نتایج به سال:
This study examines how gamification mechanics could be used in online retailers' loyalty programs. In other words, this article attempts to create a conceptual model for the relationship between gamification mechanics and customer loyalty elements. We used a field study to conduct our research. In order to validate the survey, 450 customers from one of the greatest online stores in Iran were q...
Densities ρ, Speeds of sound u, isentropic compressibilities κ s , intermolecular free lengths L f , specific acoustic impedances Z, relative association R a , intermolecular attraction α, excess molar volumes VE, excess isentropic compressibilities κ s E, excess intermolecular free lengths L f E and excess specific acoustic impedances ZE of acetophenone with ethyl cyanoacetate have been report...
We have investigated the terahertz (THz) spectrum of 2,4-DNT by using Fourier transform infrared spectroscopy in the 0.2–19.5 THz region. We also examined low-frequency intermolecular or phonon modes between 0.2 and 1.8 THz via THz time-domain spectroscopy. The extracted absorption coefficient and refractive index of an intermolecular band at 1.08 THz are 110 cm 1 and 1.67, respectively. Densit...
Although charged leptons, contrary to neutrinos, cannot oscillate, exploring whether a coherent superposition of charged lepton states can change to others during the propagation is an important problem in the neutrino oscillation theory. In this paper, we consider electrons and muons coming from the pions and W decays and study their propagation in relativistic Bohmian quantum mechanics. We f...
The infrared photodissociation spectrum of the degenerate asymmetric CH stretch (n3) vibration of the CH3 –He ionic complex has been recorded. The rotational structure and vibrational frequency of the observed transition are consistent with a p-bonded C3v cluster geometry where the He ligand is attached to the 2pz orbital of the central C atom of CH3 1 . The intermolecular bond in the ground vi...
Electrochemical reactions have proven to be valuable means for reversing the polarity of alkenes and triggering radical anionor radical cation-based cyclizing reactions. Anodic olefin coupling initiated by oxidation of electronrich olefins can provide powerful tools for achieving intramolecular cyclization reactions and building new ring systems. In this case, several combinations of olefins ca...
This paper presents the vacuum structures of aquacopper(II) bis(amino acid) complexes with glycine, sarcosine, N,N-dimethylglycine, and N-tert-butyl-N-methylglycine estimated using the B3LYP method. The differences between the B3LYP vacuum structures and experimental crystal structures suggested considerable influence of crystal lattice packing effects on the changes in the complexes' geometrie...
The structural proteins of the extracellular matrix (ECM) form fibers with finely tuned mechanical properties matched to the time scales of cell traction forces. Several proteins such as fibronectin (Fn) and fibrin undergo molecular conformational changes that extend the proteins and are believed to be a major contributor to the extensibility of bulk fibers. The dynamics of these conformational...
The gating pathways of mechanosensitive channels of large conductance (MscL) in two bacteria (Mycobacterium tuberculosis and Escherichia coli) are studied using the finite element method. The phenomenological model treats transmembrane helices as elastic rods and the lipid membrane as an elastic sheet of finite thickness; the model is inspired by the crystal structure of MscL. The interactions ...
N-methylacetamide (NMA) is a very interesting compound and often serves as a model of the peptide bond. The interaction between NMA and water provides a convenient prototype for the solvation of the peptides in aqueous solutions. Here we present NMA-water potential model based on atom-bond electronegativity equalization method fused into molecular mechanics (ABEEM/MM) that is to take ABEEM char...
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