Excitation functions for the reactions of Ar+ with CH4, CD4, and CH2D2
Integral reaction cross sections as a function of initial translational energy (0.4–30 eV c.m.) are reported for isotopic variants of the exoergic ion-molecule reaction Ar++CH4 ArH++CH3. The ex...
Integral reaction cross sections as a function of initial translational energy (0.4–30 eV c.m.) are reported for isotopic variants of the exoergic ion-molecule reaction Ar++CH4 ArH++CH3. The ex...
A theoretical study of Li2H. I. Basis set and computational survey of excited states and possible reaction paths
SCF potential curves for C2v (Li2+H) and Cv (LiH+Li) symmetries have been calculated for the 26 lowest lying states of Li2H. The curves are estimated to be 0.1 eV above the Hartree–Fock–Ro...
SCF potential curves for C2v (Li2+H) and Cv (LiH+Li) symmetries have been calculated for the 26 lowest lying states of Li2H. The curves are estimated to be 0.1 eV above the Hartree–Fock–Ro...
Macromolecular dimensions obtained by an efficient Monte Carlo method without sample attrition
J. Chem. Phys. 63, 4592 (1975); doi:10.1063/1.431268
Issue Date: 1 December 1975
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The statistical dimensions of macromolecular chains of fixed contour length can be rapidly calculated by Monte Carlo methods applied to a model consisting of dynamic self-avoiding random chains on a lattice. This ''slithering snake'' model involves moving the head of a chain one space in a lattice with all other elements of the chain moving forward along the old contour. Possible moves of the head are selected at random, but if such a move is precluded by double occupancy, the old configuration is retained, with head and tail interchanged, and then counted as if a move were made. This technique gives unbiased statistical results except for the effect of double cul-de-sacs. The method can also be applied to interacting chains, either free or confined to a box. Calculations have been made for 10-link chains on a square planar lattice for two different concentrations in infinite space and for two concentrations in a small box.
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REFERENCES (9)
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- F. T. Wall and J. Erpenbeck, J. Chem. Phys. 30, 634 (1959).
- F. T. Wall, S. Windwer, and P. J. Gans, J. Chem. Phys. 38, 2220 (1963).
- P. Gans, J. Chem. Phys. 42, 4159 (1965).
- Z. Alexandrowicz, J. Chem. Phys. 51, 561 (1969).
- S. D. Stellman and P. J. Gans,
Macromolecules 5, 516 (1962) . - R. Grishman, J. Chem. Phys. 58, 220 (1973);
- J. Curro, J. Chem. Phys. 61, 1203 (1974).
- From results to be published later by F. T. Wall and R. A. White.
- The 90% confidence limits were computed by multiplying the standard deviation of the mean by 1.645. The standard deviation of the mean was estimated by dividing the standard deviation of the N data points by
. See for example, P. Hoel, Introduction to Mathematical Statistics (Wiley, New York, 1954).
