Published 1979
| Version v1
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Computational methods for molecular structure determination: theory and technique. NRCC Proceedings No. 8
Description
Goal of this workshop was to provide an introduction to the use of state-of-the-art computer codes for the semi-empirical and ab initio computation of the electronic structure and geometry of small and large molecules. The workshop consisted of 15 lectures on the theoretical foundations of the codes, followed by laboratory sessions which utilized these codes
Availability note (English)
MF available from INIS under the Report Number; Available from NTIS., PC A17/MF A01.
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Restricted
The record is publicly accessible, but files are restricted to users with access.
Additional details
Publishing Information
- Imprint Pagination
- 397 p.
- Report number
- LBL--9882
Conference
- Title
- theory and technique.
- Acronym
- Computational methods for molecular structural determination
- Dates
- 13 - 24 Aug 1979.
- Place
- Bloomington, IN, USA.
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 11540412
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- COMPUTER CALCULATIONS; COMPUTER CODES; ELECTRONIC STRUCTURE; MEETINGS; MOLECULAR STRUCTURE; MOLECULES; SELF-CONSISTENT FIELD; VALENCE
Optional Information
- Secondary number(s)
- CONF-790892--.