Geometry of OH ⋅⋅⋅O interactions in the liquid state of the linear alcohols from ab initio molecular dynamics simulations

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript DOI: 10.1039/D0CP00435A, PaperSukumaran Vasudevan, AMAN JINDAL The monohydroxy alcohols are strongly associating liquids with hydrogen bonding associated with the presence of the hydroxyl group having a significant influence on properties. Here we determine the geometry of... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - February 26, 2020 Category: Chemistry Authors: Sukumaran Vasudevan Source Type: research