نتایج جستجو برای: dispersion interaction
تعداد نتایج: 622852 فیلتر نتایج به سال:
We study interaction between two solitons from different frequency channels propagating in an optical fiber. The interaction may be viewed as an inelastic collision, in which energy is lost to continuous radiation due to small but finite third order dispersion. We develop a perturbation theory with two small parameters: the third order dispersion coefficient d(3), and the reciprocal of the inte...
We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show tha...
The ultimate aim of the present work is to establish an acceptable level of computation for the van der waals (vdw) complexes that is able to pick up appreciable amount of dispersion interaction energy, reproduce the equilibrium separation within the acceptable limits and at the same time cost and time effective. In order to reach this aim vdw clusters where pure isotropic dispersion interactio...
In this article, theoretical studies on the selective complexation of the halide ions (F¯, Cl¯ and Br¯) and ion pairs (Na+F¯, Na+Cl¯ and Na+Br¯) with the cyclic nano-hexapeptide (CP) composed of L-proline have been performed in the gas phase. In order to calculate the dispersion interaction energies of the CP and ions, DFT-D3 calculations at the M05-2X-D3/6-31G(d) level was employed. Based on t...
A dispersion relation technique is used to obtain the retarded dispersion energy of two neutral atoms in nondegenerate ground states. To that end multipole expansions are derived for the electromagnetic form factors occurring in the vertex function that characterizes the interaction of a neutral atom with a pair of photons on the mass shell. The long-range asymptotic expression for the dispersi...
how to cite this article: movahedian ah, heidarzadeh arani m, motaharizad m, mousavi gha, mosayebi z. evaluation of qt dispersion in children with breath holding spells. iran j child neurol. winter 2016; 10(1):25-30. abstract objective breath holding spells (bhs) are common involuntary reflexes in infancy and early childhood. differential diagnosis should embrace long qt syndrome (lqts) and par...
solid dispersions in water-soluble carriers have attracted considerable interest as a means of improving the dissolution rate, and hence possibly bioavailability, of a range of hydrophobic drugs. the poor solubility of carvedilol leads to poor dissolution and hence variation in bioavailability. the purpose of the present investigation was to increase the solubility and dissolution rate of carve...
We show that the often unsatisfactory performance of Møller-Plesset second-order perturbation theory (MP2) for the dispersion interaction between closed-shell molecules can be rectified by adding a correction Delta C(n)/R(n), to its long-range behavior. The dispersion-corrected MP2 (MP2 + Delta vdW) results are in excellent agreement with the quantum chemistry "gold standard" [coupled cluster t...
background anthracyclines are important components of many chemotherapeutic protocols. the present study aimed to evaluate the repolarization changes in electrocardiography (ecg) which may predict drug induced arrhythmia. materials and methods in this cross-sectional study, the recorded ecgs were assessed for qt dispersion (qtd), qt corrected dispersion (qtcd), t peak to tend dispersion (tped),...
Citation Siber, A. et al. " Dispersion interactions between optically anisotropic cylinders at all separations: Retardation effects for insulating and semiconducting single-wall carbon nanotubes. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article ...
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