Maja Gruden

According to our database, Maja Gruden authored at least 3 papers between 2017 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2019

The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States.

Stepan Stepanovic, Matija Zlatar, Marcel Swart, Maja Gruden

J. Chem. Inf. Model., 2019

Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model.

Milena Vujovic, Mioy Huynh, Sebastian Steiner, Pablo García-Fernández, Marcus Elstner, Qiang Cui, Maja Gruden

J. Comput. Chem., 2019

2017

Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules.

Maja Gruden, Ljubica Andjeklovic, Akkarapattiakal Kuriappan Jissy, Stepan Stepanovic, Matija Zlatar, Qiang Cui, Marcus Elstner

J. Comput. Chem., 2017