First-principles prediction of acidities in the gas and solution phase
This paper provides an overview of contemporary computational protocols toward accurate prediction of acidities in the gas and aqueous phase. The performance of various density functional theory (DFT) methods and ab initio composite procedures, such as th
|Collections||ANU Research Publications|
|Source:||Wiley Interdisciplinary Reviews - Computational Molecular Science|
|01_Ho_First-principles_prediction_of_2011.pdf||236.81 kB||Adobe PDF||Request a copy|
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