نتایج جستجو برای: potential function
تعداد نتایج: 2160864 فیلتر نتایج به سال:
Inside living cells, many essential processes involve deformations of charged helical molecules and the interactions between them. Actin filaments and DNA molecules are important examples of charged helical molecules. In this paper, we consider an impermeable double stranded charged molecule in the solvent. According to the nature, the dielectric constant of the molecule is considerably differe...
Introduction. Poor graft function is one of the most severe complications after allogeneic hematopoietic stem cell transplantation, which manifests as pancytopenia/cytopenia in blood count, with presence complete or incomplete donor chimerism. There are three entities weakness: 1. poor function: pancytopenia chimerism, 2. failure: incomplete, i.e., mixed chimerism and 3. rejection: progressive ...
Ab initio perturbed ion calculations were performed for the cubic, orthorhombic, hexagonal, and monoclinic phases of PbF2. A complete characterization of these phases was achieved in terms of the potential energy surfaces, the equations of state, and the phase-transition pressures. Thermal effects were included via a quasiharmonic nonempirical Debye model. The internal parameters of the unit ce...
در این تحقیق سیال لنارد- جونز محدود شده در نانو حفره ی صفحه ای باز مورد مطالعه قرار گرفته است. نتایج این تحقیق که مبتنی بر شبیه سازی دینامیک مولکولی است، نشان می دهد که توزیع سیال در این نانوحفره ها ناهمگن است و تمایل مولکول های سیال برای قرار گرفتن در مجاورت دیواره ها بسیار زیاد است. این تمایل حتی در مواردی که بین مولکول های سیال و دیواره نیروی جاذبه ای وجود نداشته باشد نیز مشاهده می شود. تم...
this work deals with the calculation of franck-condon factors using hua potential function for the first time. the advantages of this function have been mentioned, and the numerical methods are used to obtain franck-condon factors for the following band systems: agreement between the values of this work and those obtained from other works is quite good that verifies the reliability of the prese...
the electronic absorption spectral line shape of a diatomic molecule with harmonic potential curves is calculated using the time correlation function formalism. both the equilibrium shift and the frequency shift of the two linking electronic states ate taken into account. the spectrum is also calculated using the cumulated expansion which is related to the correlation function of the time-depen...
the aqueous electrochemistry of a number of anthraquinone derivatives was studied by using cyclic voltammetry at the surface of carbon paste electrode (cpe). from measurements of the half-wave potential as a function of ph, the potential - ph diagrams were constructed for each compound. the values of formal potentials and the pk'a of some different redox and acid-base couples involved in each c...
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