Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions - Université de Lorraine
Journal Articles Journal of Physical Chemistry A Year : 2021

Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions

Fichier principal
Vignette du fichier
QM-ELMO-MM_paper_June18.pdf (1.01 Mo) Télécharger le fichier
Origin Files produced by the author(s)

Dates and versions

hal-03276184 , version 1 (01-07-2021)

Identifiers

Cite

Giovanni Macetti, Alessandro Genoni. Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions. Journal of Physical Chemistry A, 2021, ⟨10.1021/acs.jpca.1c05040⟩. ⟨hal-03276184⟩
22 View
66 Download

Altmetric

Share

More