Vibrations and strength functions in 37Ar
โ Scribed by A. Lande
- Publisher
- Elsevier Science
- Year
- 1965
- Weight
- 140 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0031-9163
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๐ SIMILAR VOLUMES
State-to-state energy transfer cross sections for Ax + HF (u = 2,4, and 6; J = 4.6,8, and 10) were computed using quasi-classic31 trajectories. Rotationat energy transfer is invariant with increasing u, but gyration energy transfer is signi&antiy enhanced by increasing J.
The first application of the density functional theory (DFT) to the calculation of atomic axial tensors (AATs) is reported. Analytical derivative methods and gauge-invariant atomic orbitals (GIAOs) are employed. DFT/GIAO AATs for trans-2,3 d2-oxirane calculated using a [8s6p3d/6s3p] basis set and th