عنوان

Computer modeling of matter :

(Number (ISBN

0841204632

(Number (ISBN

9780841204638

Number

b510080

Title Proper

Computer modeling of matter :

General Material Designation

[Book]

Other Title Information

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 /

First Statement of Responsibility

Peter Lykos, editor.

Place of Publication, Distribution, etc.

Washington :

Name of Publisher, Distributor, etc.

American Chemical Society,

Date of Publication, Distribution, etc.

1978.

Specific Material Designation and Extent of Item

xi, 271 p. :

Other Physical Details

ill. ;

Dimensions

24 cm.

Series Title

ACS symposium series,

Volume Designation

86

ISSN of Series

0087-6156 ;

Text of Note

Includes bibliographical references and index.

Text of Note

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

Title

Computer modeling of matter.

Matter-- Properties-- Data processing, Congresses.

Molecular theory-- Data processing, Congresses.

Class number

Book number

Lykos, Peter.

American Chemical Society., Division of Computers in Chemistry.

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

Date of Transaction

20140122043559.0

Electronic name

[Book]

Y