𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Binding energy of d10 transition metals to alkenes by wave function theory and density functional theory

✍ Scribed by Boris B. Averkiev; Yan Zhao; Donald G. Truhlar


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
345 KB
Volume
324
Category
Article
ISSN
1381-1169

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Calculation of NMR shielding tensors bas
✍ Georg Schreckenbach; Tom Ziegler πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 253 KB πŸ‘ 2 views

This article deals with the calculation of the shielding tensor of nuclear magnetic Ε½ . resonance NMR spectroscopy based on a scalar relativistic two-component Pauli-type Hamiltonian. A complete formulation of the method within the framework of the gauge Ε½ . including atomic orbitals GIAO is given.