Definition of TZVPP. Meaning of TZVPP. Synonyms of TZVPP

Here you will find one or more explanations in English for the word TZVPP. Also in the bottom left of the page several parts of wikipedia pages related to the word TZVPP and, of course, TZVPP synonyms and on the right images related to the word TZVPP.

Definition of TZVPP

No result for TZVPP. Showing similar results...

Meaning of TZVPP from wikipedia

- Orbitals of Borole. Structure optimised using ORCA BP86-D3BJ and def2- TZVPP basis set. The calculated occupencies of the obitals going from left to...
- phosphorus atom exists in a planar environment. Calculations at the M06-2X/def2-TZVPP//M06-2X/def2-SVP level of theory were applied to a simplified model compound...
- into a lowering of the activation barrier until 61,5 kJ/mol (M06-2X/def2-TZVPP), if S replaces O on the enophile. By com****tionally examining both the...
- def2-TZVPD – Valence triple-zeta polarization with diffuse functions def2-TZVPP – Valence triple-zeta with two sets of polarization functions def2-TZVPPD...
- H-C≡P. Surfaces were calculated at the B3LYP level of theory using the def2-tzvpp basis set in ORCA. Molecules shown are (from left to right) the cyaphide...
- Calculated equilibrium geometries with the M06-2X-D3/def2-TZVPP method of Ca(CO)8, Sr(CO)8, and Ba(CO)8...
- the energy for the dissociation of N2(PPh3)2 to N2+2 PPh3 at RI-BP86/def2-TZVPP and found, with corrections for thermal and entropic contributions, a Gibbs...
- trihydride (BH3) binding analysis and proton affinity analysis at the BP86/TZVPP level of theory. Compared to analogous model complexes of carbon, the silicon...