A comparison of the B3LYP and MP2 methods in the calculation of phosphate complexes
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference55 articles.
1. Properties of Hydrogen-Bonded Complexes Obtained from the B3LYP Functional with 6-31G(d,p) and 6-31+G(d,p) Basis Sets: Comparison with MP2/6-31+G(d,p) Results and Experimental Data
2. Density functional theory calculations of adsorption and reactivity of methanol at alumino-silicate Brønsted acid centres
3. A Systematic Appraisal of Density Functional Methodologies for Hydrogen Bonding in Binary Ionic Complexes
4. Comparative study of BSSE correction methods at DFT and MP2 levels of theory
5. Adsorption of the Phosphate Groups on Silica Hydroxyls: An ab Initio Study
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