검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Double-hybrid functionals for thermochemical kinetics Tarnopolsky A, Karton A, Sertchook R, Vuzman D, Martin JML Journal of Physical Chemistry A, 112(1), 3, 2008 |
| 2 |
Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics Karton A, Tarnopolsky A, Lamere JF, Schatz GC, Martin JML Journal of Physical Chemistry A, 112(50), 12868, 2008 |
| 3 |
Reduction of activated olefins by Sml(2). Detouring the classical birch mechanism and a negative order in Sml(2) Tarnopolsky A, Hoz S Journal of the American Chemical Society, 129(11), 3402, 2007 |