Performance of Dunning, Jensen, and Karlsruhe basis sets on computing relative energies and geometries of mimima and transitions states
Document Type: | Conference Object |
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Language: | English |
Author: | Karl Kirschner, Dirk Reith, Wolfgang Heiden |
Parent Title (English): | Abstracts of Papers of the American Chemical Society |
Volume: | 258 |
Article Number: | 360-COMP |
ISSN: | 0065-7727 |
Publisher: | American Chemical Society (ACS) |
Place of publication: | Washington, DC, USA |
Date of first publication: | 2019/08/25 |
Note: | ACS Fall National Meeting and Exposition, San Diego, CA, AUG 25-29, 2019 |
Departments, institutes and facilities: | Fachbereich Informatik |
Fachbereich Ingenieurwissenschaften und Kommunikation | |
Dewey Decimal Classification (DDC): | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
Entry in this database: | 2020/05/06 |