عنوان

Computer modeling of matter :

0841204632

9780841204638

b510080

Computer modeling of matter :

[Book]

based on a symposium sponsored by the ACS Division of Computers in Chemistry at the 175th meeting of the American Chemical Society, Anaheim, California, March 14, 1978 /

Peter Lykos, editor.

Washington :

American Chemical Society,

1978.

xi, 271 p. :

ill. ;

24 cm.

ACS symposium series,

86

0087-6156 ;

Includes bibliographical references and index.

Molecular dynamics simulations of liquids with ionic interactions / K. Heinzinger, W.O. Riede, L. Schaefer, and Gy.I. Szász -- Monte Carlo simulation of water / C.S. Pangali, M. Rao, and B.J. Berne -- Determination of the mean force of two noble gas atoms dissolved in water / C.S. Pangali, M. Rao, and B.J. Berne -- Applying the polarization model to the hydrated lithium cation / Carl W. David -- Molecular dynamics simulation of methane using a singularity-free algorithm / S. Murad and K.E. Gubbins -- Structure of a liquid-vapor interface / M. Rao and B.J. Berne -- Computer simulation of the liquid-vapor surface of molecular fluids / S.M. Thompson and K.E. Gubbins -- High field conductivity / Benson R. Sundheim -- Computer simulation of collective modes in solids / M.L. Klein -- Computer simulations of the melting and freezing of simple systems using an array processor / G. Chester, R. Gann, R. Gallagher, and A. Grimison -- Simulating the dynamic and equilibrium properties of a multichain polymer system / David E. Kranbuehl and Bruce Schardt -- Application of conformational energy calculations to defect properties in polymer crystals / Richard H. Boyd -- Multiple time step methods and an improved potential function for molecular dynamics simulations of molecular liquids / W.B. Streett, D.J. Tildesley, and G. Saville -- Optimization of sampling algorithms in Monte Carlo calculations on fluids / John C. Owicki -- Molecular dynamics simulations of simple fluids with three-body interactions included / J.M. Haile -- Monte Carlo studies of the structure of liquid water and dilute aqueous solutions / David L. Beveridge, Mihaly Mezei, S. Swaminathan, and S.W. Harrison -- Computer modeling of quantum liquids and crystals / M.H. Kalos, P.A. Whitlock, and D.M. Ceperley -- From microphysics to macrochemistry via discrete simulations / Jack S. Turner.

0

Computer modeling of matter.

Matter-- Properties-- Data processing, Congresses.

Molecular theory-- Data processing, Congresses.

Lykos, Peter.

American Chemical Society., Division of Computers in Chemistry.

American Chemical Society., Meeting(175th :1978 :, Anaheim, Calif.)

20140122043559.0

[Book]

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