عنوان

Supercomputers in chemistry :

(Number (ISBN

084120666X

(Number (ISBN

9780841206663

Number

b428341

Title Proper

Supercomputers in chemistry :

General Material Designation

[Book]

Other Title Information

based on a symposium cosponsored by the ACS Divisions of Computers in Chemistry, and Physical Chemistry, and the U.S. National Resource for Computation in Chemistry at the Second Chemical Congress of the North American Continent (180th ACS National Meeting), Las Vegas, Nevada, August 26-27, 1980 /

First Statement of Responsibility

Peter Lykos, editor, Isaiah Shavitt, editor.

Place of Publication, Distribution, etc.

Washington, D.C. :

Name of Publisher, Distributor, etc.

American Chemical Society,

Date of Publication, Distribution, etc.

1981.

Specific Material Designation and Extent of Item

x, 278 pages :

Other Physical Details

illustrations ;

Dimensions

24 cm.

Series Title

ACS symposium series,

Volume Designation

173

ISSN of Series

0097-6156 ;

Text of Note

Papers presented at the Symposium on Supercomputers and Chemistry.

Text of Note

Includes bibliographical references and index.

Text of Note

The use of vector processors in quantum chemistry : experience in the United Kingdom / Martyn F. Guest and Stephen Wilson -- The academic computer resources in Japan and their contributions to theoretical chemistry / Katsunori Hijikata -- Supercomputer requirements for theoretical chemistry / Robert B. Walker, P. Jeffrey Hay, and Harold W. Galbraith -- The integration of chemical rate equations on a vector computer / Theodore R. Young and Marie C. Flanigan -- The use of a high-speed vector processor machine for chemical kinetic sensitivity analysis / David Edelson, Linda C. Kaufman, and Daniel D. Warner -- The effect of buoyancy on the thermal ignition of carbon monoxide / Walter W. Jones -- Supercomputers and the problem of organic synthesis / Malcolm Bersohn -- Computer methods of molecular structure elucidation from unknown mass spectra / In Ki Mun and Fred W. McLafferty -- The relative performances of several scientific computers for a liquid molecular dynamics simulation / D.M. Ceperley -- The need for supercomputers in time-dependent polymer simulations / Marvin Bishop, David Ceperley, H.L. Frisch, and M.H. Kalos -- Applications of large-scale computers and computer graphics : investigations of biological macromolecular structure, function, and evolution / Arthur M. Lesk and Karl D. Hardman -- Computer simulation of biomolecular systems / P. Dauber, Murray Goodman, A.T. Hagler, D. Osguthorpe, R. Sharon, and P. Stern -- A micro vector processor for molecular mechanics calculations / David N.J. White -- Programming language for supercomputers / Richard L. Lozes -- The advanced flexible processor, array architecture / Bruce Colton.

0

Title

Supercomputers in chemistry.

Chemistry-- Data processing, Congresses.

Supercomputers, Congresses.

Class number

Book number

Lykos, Peter.

Shavitt, Isaiah,1925-

Symposium on Supercomputers and Chemistry(1980 :, Las Vegas, Nev.)

American Chemical Society., Division of Computers in Chemistry.

American Chemical Society., Division of Physical Chemistry.

American Chemical Society., Meeting(180th :1980 :, Las Vegas, Nev.)

Chemical Congress of the North American Continent(2nd :1980 :, Las Vegas, Nev.)

Lawrence Berkeley Laboratory., National Resource for Computation in Chemistry.

Date of Transaction

20140122040937.0

Electronic name

[Book]

Y