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



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ID: 743335.0, MPI für bioanorganische Chemie / MPI für bioanorganische Chemie
Ab Initio Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-ray Absorption Spectra of Main Group Elements and First Row Transition Metals
Authors:Chantzis, Agisilaos; Kowalska, Joanna; Maganas, Dimitrios; DeBeer, Serena; Neese, Frank
Language:English
Date of Publication (YYYY-MM-DD):2018
Title of Journal:Journal of Chemical Theory and Computation
Journal Abbrev.:J.Chem.Theory Comput.
Volume:14
Issue / Number:7
Start Page:3686
End Page:3702
Review Status:Peer-review
Audience:Experts Only
External Publication Status:published
Document Type:Article
Version Comment:Automatic journal name synchronization
Communicated by:N. N.
Affiliations:MPI für bioanorganische Chemie
Identifiers:ISI:000438654500028 [ID No:1]
ISSN:1549-9618 [ID No:2]
DOI:10.1021/acs.jctc.8b00249 [ID No:3]
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