Thomas Hofer

University of Innsbruck

Austria

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Articles (10)

Analysis of the Ordering Effects in Anthraquinone Thin Films and Its Potential Application for Sodium Ion Batteries

Year:

2021

Balancing the structural, vibrational and dielectric properties of an advanced flexible water model

Year:

2021

Exploring interfacial dynamics in homodimeric S -ribosylhomocysteine lyase (LuxS) from Vibrio cholerae through molecular dynamics simulations

Year:

2021

N,N-Dimethoxyimidazolium Derivatives as Ion Pair Constituents of Energetic Redox Couples: Model Studies by Thermal Analysis and Crystallography

Year:

2021

Solvent influence on the presence of axial ligand coordination: A QMCF-MD study of the structural and dynamical properties of Pd(II) and Pd(II) tetra-ammine in aqueous solution

Year:

2021

Structural, dynamical, and photochemical properties of: ortho -tetrafluoroazobenzene inside a flexible MOF under visible light irradiation

Year:

2021

Theoretical insight on the solvation properties of Zn<sup>2+</sup> in pure liquid ammonia: A quantum mechanical molecular charges field molecular dynamics (QMCF-MD) study

Year:

2021

Carbon dioxide in liquid ammonia: An ab initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Thermodynamic Integration (QM/MM MD TI) simulation study on structure, dynamics and thermodynamics of solvation

Year:

2020

Charge Anisotropy of Nitrogen: Where Chemical Intuition Fails

Year:

2020

Co<sup>3+</sup> and Ir<sup>3+</sup> in pure liquid ammonia: Structure and dynamics from ab initio quantum mechanical charge field molecular dynamics

Year:

2020

Collaborators (3)

Dogukan Hazar Apaydin

TU Wien

AUSTRIA

Emil Dražević

Aarhus University

DENMARK

Daniel Werner

University of Innsbruck

AUSTRIA

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