Showing 1 - 3 results of 3 for search 'Andreas H. Göller', query time: 0.02s Refine Results
  1. 1
    RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions

    RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions by Nicolai Ree, Andreas H. Göller, Jan H. Jensen

    Published 2021-02-01
    Get full text
    Article
  2. 2
    Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies

    Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies by Christoph A. Bauer, Gisbert Schneider, Andreas H. Göller

    Published 2019-09-01
    Get full text
    Article
  3. 3
    Ensemble completeness in conformer sampling: the case of small macrocycles

    Ensemble completeness in conformer sampling: the case of small macrocycles by Lea Seep, Anne Bonin, Katharina Meier, Holger Diedam, Andreas H. Göller

    Published 2021-07-01
    Get full text
    Article

Search Tools: