Optimized Cartesian coordinates of the solvated phase isomers of neutral methanol clusters
Published: 14 June 2022| Version 1 | DOI: 10.17632/cs6mkkt4b5.1
These data are the solvent phase optimized Cartesian coordinates of neutral methanol clusters. Coordinates are given for the various isomers of each cluster size from n=1 to n=13. All the optimisations were performed in the solvent phase at the MP2/6-31++G(d,p) level of theory.
Universite de Ngaoundere Faculte des Sciences
Physical Chemistry, Structure of Liquids