نتایج جستجو برای: pair potential

تعداد نتایج: 1175810  

Bahare Mirhosseini Reza Khordad,

In the present work, the integral equations method is used to calculate transport properties of polar fluids. For this goal, we use the Stockmayer potential and examine theoretically the thermal conductivity of several refrigerant mixtures such as R125+R134a, R125+R32, R125+R152a, R134a+R32, R152a+R32, R134a+R143a, and R125+R143a. We solve numerically the Ornstein-Zernike (OZ) equation usin...

An inversion procedure is used to obtain from the extended principle of corresponding - states the pair interaction potentials for argon, krypton and its mixture over a tetnperature range from absolute zero to the onset of ionization. The experimentally-reduced viscosity collision integrals obtained from the corresponding - states correlation have been inverted directly to give the reduced...

Journal: :journal of sciences islamic republic of iran 0

a self-regulated high-copy number plasmid containing chloramphenicol resistant gene, for the production of recombinant proteins under the regulation of bacteriophage ?pl promoter, was constructed. the designed 5024 base pair expression plasmid contained a heat sensitive repressor ci857 coding gene to regulate the function of ?pl promoter under heat shock induction. using the constructed vector,...

رضا خرداد, , محمود مرادی, ,

 In this paper, a uniform classical fluid mixture comprising ellipsoidal molecules is studied. This mixture is composed of two types of ellipsoidal molecules interacting through the Gay-Berne potential with different sizes at temperature T. For this system, the Ornstein-Zernike equation using the Percus-Yevick closure relation is solved. Then the direct correlation function, pair correlation fu...

Journal: :journal of algorithms and computation 0
p. jeyanthi govindammal aditanar college for women tiruchendur-628 215, tamil nadu, india t. saratha devi department of mathematics, g.venkataswamy naidu college, kovilpatti-628502,tamilnadu,india.

let g be a (p,q) graph. an injective map f : e(g) → {±1,±2,...,±q} is said to be an edge pair sum labeling if the induced vertex function f*: v (g) → z - {0} defi ned by f*(v) = σp∈ev f (e) is one-one where ev denotes the set of edges in g that are incident with a vertex v and f*(v (g)) is either of the form {±k1,±k2,...,±kp/2} or {±k1,±k2,...,±k(p-1)/2} u {±k(p+1)/2} according a...

Journal: :Physical review letters 2000
Groenenboom Mas Bukowski Szalewicz Wormer van Der Avoird A

We present the first pair plus three-body potential of water from ab initio calculations that quantitatively reproduces the experimental far-infrared spectra of the water dimer and trimer. The dimer spectrum was obtained from the pair potential through rigorous six-dimensional quantum calculations of the vibration-rotation-tunneling levels. The three-body interactions, together with the pair po...

2012
Jean-Louis Bretonnet

This chapter is an introduction to the thermodynamics of systems, based on the correlation function formalism, which has been established to determine the thermodynamic properties of simple liquids. The article begins with a preamble describing few general aspects of the liquid state, among others the connection between the phase diagram and the pair potential u(r), on one hand, and between the...

Journal: :Proteins 2000
J Skolnick A Kolinski A Ortiz

A method is presented for the derivation of knowledge-based pair potentials that corrects for the various compositions of different proteins. The resulting statistical pair potential is more specific than that derived from previous approaches as assessed by gapless threading results. Additionally, a methodology is presented that interpolates between statistical potentials when no homologous exa...

1999
Jeffrey Skolnick Andrzej Kolinski Angel Ortiz

A method is presented for the derivation of knowledge-based pair potentials that corrects for the various compositions of different proteins. The resulting statistical pair potential is more specific than that derived from previous approaches as assessed by gapless threading results. Additionally, a methodology is presented that interpolates between statistical potentials when no homologous exa...

A self-regulated high-copy number plasmid containing chloramphenicol resistant gene, for the production of recombinant proteins under the regulation of bacteriophage ?pL promoter, was constructed. The designed 5024 base pair expression plasmid contained a heat sensitive repressor cI857 coding gene to regulate the function of ?pL promoter under heat shock induction. Using the constructed vector,...

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