Towards understanding solvation effects on the conformational entropy of non-rigid molecules
The absolute molecular entropy is a fundamental quantity for the accurate description of
thermodynamic properties. For non-rigid molecules, a substantial part of the entropy can be …
thermodynamic properties. For non-rigid molecules, a substantial part of the entropy can be …
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
J Gorges, S Grimme, A Hansen… - Physical chemistry …, 2022 - pubmed.ncbi.nlm.nih.gov
The absolute molecular entropy is a fundamental quantity for the accurate description of
thermodynamic properties. For non-rigid molecules, a substantial part of the entropy can be …
thermodynamic properties. For non-rigid molecules, a substantial part of the entropy can be …
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
J Gorges, S Grimme, A Hansen… - Physical Chemistry …, 2022 - ui.adsabs.harvard.edu
Abstract Changes of the conformational entropy due to solvation are investigated using
efficient semiempirical quantum-chemical methods and continuum solvation models. The …
efficient semiempirical quantum-chemical methods and continuum solvation models. The …
Towards understanding solvation effects on the conformational entropy of non-rigid molecules.
J Gorges, S Grimme, A Hansen… - … Chemical Physics: PCCP, 2022 - europepmc.org
The absolute molecular entropy is a fundamental quantity for the accurate description of
thermodynamic properties. For non-rigid molecules, a substantial part of the entropy can be …
thermodynamic properties. For non-rigid molecules, a substantial part of the entropy can be …