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List of works by Peter Kraus

Accurate equilibrium structures of methyl methacrylate and methacrylic acid by microwave spectroscopy and dispersion corrected calculations

scientific article published on 01 April 2019

Benchmark-Quality Semi-Experimental Structural Parameters of Van Der Waals Complexes

scientific article published on 4 January 2018

Blurring out hydrogen: The dynamical structure of teflic acid

scientific article published on 01 May 2018

Constrained chemical dynamics of CO dissociation/hydrogenation on Rh surfaces.

scientific article published on 21 February 2018

Density Functional Theory for Microwave Spectroscopy of Noncovalent Complexes: A Benchmark Study

scientific article published on 17 May 2018

Extrapolating DFT Toward the Complete Basis Set Limit: Lessons from the PBE Family of Functionals

scientific article published on 05 August 2021

Molecular dynamics simulations of liquid-liquid interfaces in an electric field: The water-1,2-dichloroethane interface

scientific article published on 01 October 2020

On the dynamics of H<sub>2</sub> adsorption on the Pt(111) surface

scientific article published in 2017

Psi4 1.4: Open-source software for high-throughput quantum chemistry

scientific article published on 01 May 2020

XeOCS: relatively straightforward?

scientific article published on 26 February 2020

yadg: yet another datagram

scientific article published on 21 April 2022

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