| Main Title |
Algorithms for chemical computations : a symposium / |
| Author |
Christoffersen, Ralph E.
|
| Other Authors |
|
| CORP Author |
American Chemical Society. Division of Computers in Chemistry. |
| Publisher |
American Chemical Society, |
| Year Published |
1977 |
| OCLC Number |
02873773 |
| ISBN |
0841203717; 9780841203716 |
| Subjects |
Chemistry--Data processing--Congresses ;
Algorithms--Congresses
|
| Additional Subjects |
Chemistry--Data processing--Congresses ;
Algorithms--Congresses
|
| Internet Access |
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| ELBM |
QD39.3.E46A43 1977 |
|
AWBERC Library/Cincinnati,OH |
01/31/1997 |
|
| Collation |
viii, 151 pages : illustrations ; 24 cm. |
| Notes |
Symposium actually held at the 172nd meeting of the American Chemical Society, San Francisco.--Pref. Includes bibliographical references and index. |
| Contents Notes |
Graph algorithms in chemical computation / Robert Endre Tarjan -- Algorithm design in computational quantum chemistry / Ernest R. Davidson -- Rational selection of algorithms for molecular scattering calculations / Roy G. Gordon -- Molecular dynamics and transition state theory : the simulation of infrequent events / Charles H. Bennett -- Newer computing techniques for molecular structure studies by X-ray crystallography / David J. Duchamp -- Algorithms in the computer handling of chemical information / Louis J. O'Korn. |
