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          Institute: MPI für bioanorganische Chemie     Collection: MPI für bioanorganische Chemie     Display Documents



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ID: 633327.0, MPI für bioanorganische Chemie / MPI für bioanorganische Chemie
Expedited analysis of DFT outputs: Introducing moanalyzer
Authors:Delgado-Jaime, Mario Ulises; DeBeer, Serena
Language:English
Date of Publication (YYYY-MM-DD):2012-06-13
Title of Journal:Journal of Computational Chemistry
Journal Abbrev.:J. Comput. Chem.
Volume:33
Issue / Number:27
Start Page:2180
End Page:2185
Review Status:Peer-review
Audience:Experts Only
Free Keywords:ORCA; DFT; Matlab; X-ray absorption spectroscopy; X-ray emission spectroscopy
External Publication Status:published
Document Type:Article
Communicated by:N. N.
Affiliations:MPI für bioanorganische Chemie
Identifiers:ISI:000309063000005 [ID No:1]
ISSN:0192-8651 [ID No:2]
DOI:10.1002/jcc.23028 [ID No:3]
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