Optimized Cartesian coordinates of the solvated phase isomers of neutral methanol clusters
Published: 14 June 2022| Version 1 | DOI: 10.17632/cs6mkkt4b5.1
Contributor:
Jules FIFEN
Description
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.
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Institutions
Universite de Ngaoundere Faculte des Sciences
Categories
Physical Chemistry, Structure of Liquids