CCCC > Archive > Keywords > B3LYP functional
- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
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B3LYP functional
- Jason Ford-Green, Devashis Majumdar and Jerzy Leszczynski*
Probing the Active Conformers of Paraoxon Through Theoretical Conformational Studies
2008, Vol. 73, Issue 10, pp. 1245–1260
[Abstract]
- Ladislav Janovec, Stanislav Böhm, Ivan Danihel, Ján Imrich*, Pavol Kristian and Karel D. Klika
Theoretical Confirmation of the Reaction Mechanism Leading to Regioselective Formation of Thiazolidin-4-one from Bromoacetic Acid Derivatives
2007, Vol. 72, Issue 10, pp. 1435–1445
[Abstract]