In silico geometric and energetic data of all possible simple rotamers made of non-metal elements

by Taweetham Limpanuparb, Sopanant Datta, Kridtin Chinsukserm, Peerayar Teeraniramitr
Published 2020-06-01

Geometric and energetic data from ab initio calculations of haloethene, haloimine, halomethylenephosphine, haloiminophosphine, halodiazene, halodiphosphene and halocyclopropane

by Kridtin Chinsukserm, Wanutcha Lorpaiboon, Peerayar Teeraniramitr, Taweetham Limpanuparb
Published 2019-12-01