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Bulk Structure Elucidation: Computational Spectroscopy of Ionic Liquids for Bulk Structure Elucidation (Adv. Theory Simul. 10/2018)
Author(s) -
Saielli Giacomo
Publication year - 2018
Publication title -
advanced theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.068
H-Index - 17
ISSN - 2513-0390
DOI - 10.1002/adts.201870026
Subject(s) - ionic liquid , ionic bonding , spectroscopy , chemical physics , chemistry , computational chemistry , materials science , physics , nanotechnology , computer science , ion , quantum mechanics , organic chemistry , catalysis
“Those who have knowledge, don't predict. Those who predict, don't have knowledge” – Lao Tzu. We do not have a detailed knowledge of the microscopic structure of ionic liquids; yet, in article number 1800084 , Giacomo Saielli validates the proposed structures with the prediction, by quantum chemistry, of the spectroscopic signatures of the bulk phase, thus gaining knowledge through prediction.