Manuel J Schuler

Publication Activity (10 Years)

Years Active: 2020-2020
Publications (10 Years): 2

Top Topics

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Wahyu Dita Saputri, Harno Dwi Pranowo, Manuel J Schuler, Thomas S Hofer
Cu2+ in liquid ammonia-The impact of solvent flexibility and electron correlation in ab initio quantum mechanical charge field molecular dynamics. Journal of computational chemistry 41 (25) (2020)
Manuel J Schuler, Thomas S Hofer, Yusuke Morisawa, Yoshisuke Futami, Christian Wolfgang Huck, Yukihiro Ozaki
Solvation effects on wavenumbers and absorption intensities of the OH-stretch vibration in phenolic compounds - electrical- and mechanical anharmonicity via a combined DFT/Numerov approach. Physical chemistry chemical physics : PCCP 22 (23) (2020)