Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters

✍ Scribed by Bryantsev, Vyacheslav S.; Diallo, Mamadou S.; van Duin, Adri C. T.; Goddard, William A.

• Book ID: 118052926
• Publisher: American Chemical Society
• Year: 2009
• Tongue: English
• Weight: 452 KB
• Volume: 5
• Category: Article
• ISSN: 1549-9618
• DOI: 10.1021/ct800549f