نتایج جستجو برای: c20si2h2 molecules
تعداد نتایج: 193063 فیلتر نتایج به سال:
At low pressure, ethylene gas consists of single translating and rotating molecules and behaves as an ideal gas. With decrease of free volume by compression, various rotating supramolecular particles are formed, which require less space for the movement: molecular pairs, bimolecules and oligomolecules. The appearance of a new kind of particles is manifested as a phase transition of the second o...
The density functional theory analogue of Percus Yevick (PY) and Hyper-Netted chain (HNC) has been used to write the grand potential of a liquid with cylindrical and ellipsoidal molecules. The integral equations for the density can be obtained by minimizing the grand potential with respect to the density. Some kinds of liquid crystals, can have the cylindrical or ellipsoidal rigid molecules. ...
The molecular geometry of complex of adenine with 8 water molecules was calculated with Hartree-Fock (HF). The standard 6-31G(d) basis set has been employed. The existence of C-H…O Hydrogen bonds between the water molecules and the hydrophobic part of nucleobase is stablished. We optimized structures and computed interaction energies of all complexes of adenine with water molecules step by step...
new statistic based models provide a wide area of prediction equipments for different science areas. among these fields biology have just entered the contest of interdisciplinary sciences. drug discovery is a long and expensive process which could be decreased with theoretical approaches. in this study, 500 reported assayed anti cancer molecules were extracted from science direct articles, sket...
The adsorption of pyrazolone(HPMSP), Calix[4]-arene,Cu and Cs, on carbon nanotube(CNT) atroom temperature has been investigated using spectroscopy.Uv spectroscopy indicated that pyrazolone molecules adsorbed on carbon nanotube at roomtemperature in compared calix[4]- arene molecules adsorbed approximately same.The amount ofpyrazolone(HPMSP) adsorb 3.8. le mol/g and amount calix[4]-arene adsorbe...
Stretching and bending normal vibrations of AB2(C2v), AB3(D3h), AB4(D4h), and AB5(D3h) molecules are described by correlating the vibrational displacement vectors of the attached atoms with the standard representations of s, p and d atomic orbitals of the central atom in ABn(n=2-5) molecules. It is found that stretching and bending normal vibrations of simple molecules accord with probability...
The immune system works through leukocytes interacting with each other, with other cells, with tissue matrices, with infectious agents, and with other antigens. These interactions are mediated by cell-surface glycoproteins and glycolipids. Antibodies against these leukocyte molecules have provided powerful tools for analysis of their structure, function, and distribution. Antibodies have been u...
density functional theory calculations were performed to investigate the interactions of nh3 molecules with tio2/mos2 nanocomposites in order to completely exploit the adsorption properties of these nanocomposites. given the need to further comprehend the behavior of the nh3 molecules oriented between the tio2 nanoparticle and mos2 monolayer, we have geometrically optimized the complex systems ...
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