Some comments on the second virial coefficient of semiflexible polymers
نویسندگان
چکیده
منابع مشابه
Some comments on the second virial coefficient of semiflexible polymers.
A Monte Carlo study is made of the mean-square radius of gyration S(2) and second virial coefficient A(2) for the two freely rotating chains with the Lennard-Jones (LJ) 6-12 potential and the hard-sphere (HS) one in the range of the bond angle theta from 109 degrees (typical flexible chain) to 175 degrees (typical semiflexible or stiff chain) and in the range of the number n of bonds from 6 to ...
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Intermolecular potential energy surface (IPS) for protein — protein has been examined using RHF, DFT-B3LYPand MP2 levels of theory with 6-31G, 6-31G* basis sets. A number of basis sets were used in order to evaluatethe basis set effects, at all three levels of theory, basis sets has significant effects on the calculated potentialenergy curves (including position, depth and width of the potentia...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2008
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2969106