A User-Oriented Set of Quantum Chemical Benchmarks

DOI10.1007/978-3-642-55526-8_13zbMATH Open1109.92064OpenAlexW67002809MaRDI QIDQ4429566FDOQ4429566

Frank Brechtefeld, Ludger Palm

Publication date: 26 September 2003

Published in: High Performance Computing in Science and Engineering, Munich 2002 (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-3-642-55526-8_13

zbMATH Keywords

albanespolyglycines

Mathematics Subject Classification ID

Chemistry (92E99) Computational methods for problems pertaining to biology (92-08)

Uses Software

• GAUSSIAN
• NWChem
• TURBOMOLE

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