نتایج جستجو برای: pair potential
تعداد نتایج: 1175810 فیلتر نتایج به سال:
Nonhuman males attend to the number of potential sexual rivals in the local environment to assess sperm competition risk. Males of these species sometimes perform more frequent in-pair copulations to increase the likelihood of success in sperm competition. Here, we extend this research to humans, Homo sapiens. We secured self-report data from 393 men in a committed, sexual, heterosexual relatio...
A quantum system at equilibrium is represented by a corresponding classical system, chosen to reproduce thermodynamic and structural properties. The motivation is to allow application of classical strong-coupling theories and molecular dynamics simulation to quantum systems at strong coupling. The correspondence is made at the level of the grand-canonical ensembles for the two systems. An effec...
An individual's investment in mating or keeping a pair bond intact may be influenced not only by the attractiveness of its current mate, but also by that of other potential mates. In this study, we investigated the effect of relative attractiveness on pair-bond behaviour in bearded reedlings, Panurus biarmicus. We showed that mate attractiveness, in terms of beard length in males and tail lengt...
using the gaussian 2003 software and mp2 /6 – 311+ g method for the c2h4 : o2, co:cl2 andco2:co2 pairs and mp2/6-311++g** method for the co2:h2o pair and b3lyp/6-31g methodfor the o2:o2 pair the optimized interaction energies between two considered pair molecules ofstudied gases(c2h4:o2, co:cl2, co2:h2o, o2:o2 and co2:co2 pairs) as a function of thedistances between the centers of two considere...
this research has been carried out to study and find a rather general description for a lone pairorbital in molecules. since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; thefsgo method including optimization has been used to obtain orbital parameters and energy. theproposed models for...
in this study, the ion association phenomenon in the saturated solution of kcl in the mixed solvent(methanol+water) was studied. the solubility of this compound in the mixed solvent (methanol+water by value percent of methanol = 60%), and in the presence of various molarities of nano3 wasdetermined by the solvent evaporation method at 25.0°c. the results enable us to estimate the valueof thermo...
The Density Functional Theory (DFT) and the Natural Bond Orbital (NBO) calculations basedmethod B3LYP/6-31G were carried out to study the interaction of Dopamine with carbon nanotube.The nanotube used in this study, includes 60 C atoms (6, 6) type. Relative and formation energies ofcompounds, Muliken charges, occupancy, the highest occupied molecular orbital (HOMO) and thelowest unoccupied mole...
white spot syndrome virus (wssv) is a highly pathogenic and prevalent virus affecting shrimp culture worldwide including iran. in the present study, a pair of primers was designed according to the sequence of vp 28 gene of wssv in the genbank. vp28 gene from an iranian wssv isolate (irvp28) was cloned, sequenced and expressed in escherichia coli bl21(de3) strain in order to produce vp28 protein...
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