NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Back to Results
Quantum Chemical CalculationsThe current methods of quantum chemical calculations will be reviewed. The accent will be on the accuracy that can be achieved with these methods. The basis set requirements and computer resources for the various methods will be discussed. The utility of the methods will be illustrated with some examples, which include the calculation of accurate bond energies for SiF$_n$ and SiF$_n^+$ and the modeling of chemical data storage.
Document ID
20020052463
Acquisition Source
Ames Research Center
Document Type
Conference Paper
Authors
Bauschlicher, Charles W.
(NASA Ames Research Center Moffett Field, CA United States)
Arnold, James O.
Date Acquired
August 20, 2013
Publication Date
October 10, 1997
Subject Category
Inorganic, Organic And Physical Chemistry
Meeting Information
Meeting: Fifth Foresight Conference on Molecular Nanotechnology
Location: Palo Alto, CA
Country: United States
Start Date: November 5, 1997
End Date: November 8, 1997
Funding Number(s)
PROJECT: RTOP 242-80-01
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

Available Downloads

There are no available downloads for this record.
No Preview Available