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Maja Gruden
ORCID
Publication Activity (10 Years)
Years Active: 2017-2019
Publications (10 Years): 3
Top Topics
Computational Models
Partial Knowledge
Chemical Reactions
Bulletin Board
Top Venues
J. Comput. Chem.
J. Chem. Inf. Model.
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Publications
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Stepan Stepanovic
,
Matija Zlatar
,
Marcel Swart
,
Maja Gruden
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States.
J. Chem. Inf. Model.
59 (5) (2019)
Milena Vujovic
,
Mioy Huynh
,
Sebastian Steiner
,
Pablo García-Fernández
,
Marcus Elstner
,
Qiang Cui
,
Maja Gruden
Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model.
J. Comput. Chem.
40 (2) (2019)
Maja Gruden
,
Ljubica Andjeklovic
,
Akkarapattiakal Kuriappan Jissy
,
Stepan Stepanovic
,
Matija Zlatar
,
Qiang Cui
,
Marcus Elstner
Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules.
J. Comput. Chem.
38 (25) (2017)