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Journal of Chemical Theory and Computation|December 18, 2023
Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational PropertiesJohannes Hoja, Alexander List, A Daniel BoeseThe Journal of Chemical Physics|May 18, 2026
Multimer embedding for molecular crystals utilizing up to tetramer interactionsAlexander List, A Daniel Boese, Johannes HojaThe Journal of Chemical Physics|December 18, 2024
The V30 benchmark set for anharmonic vibrational frequencies of molecular dimersJohannes Hoja, A Daniel BoesePhysical Chemistry Chemical Physics : PCCP|November 2, 2019
Revised values for the X23 benchmark set of molecular crystalsGrygoriy A Dolgonos, Johannes Hoja, A Daniel BoeseThe Journal of Physical Chemistry. A|October 15, 2024
Dissociation Energies via Embedding TechniquesFlorian Feyersinger, Peter E Hartmann, Johannes Hoja, et al.Faraday Discussions|July 26, 2018
First-principles stability ranking of molecular crystal polymorphs with the DFT+MBD approachJohannes Hoja, Alexandre TkatchenkoThe Journal of Chemical Physics|October 31, 2025
Nudged-elastic band calculations of polymorph transitions and solid-state reactions in molecular crystalsNatalia Goncharova, Johannes HojaJournal of Chemical Theory and Computation|November 22, 2015
Assessment of Coupled Cluster Theory and more Approximate Methods for Hydrogen Bonded SystemsA Daniel BoeseChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 18, 2015
Density functional theory and hydrogen bonds: are we there yet?A Daniel BoesePhysical Chemistry Chemical Physics : PCCP|August 17, 2013
Accurate adsorption energies of small molecules on oxide surfaces: CO-MgO(001)A Daniel Boese, Joachim SauerPageof 6