The Reaction Mechanism Study for the F3 System.
In order to study the F3 system, an accurate global adiabatic potential energy surface is reduced in the present work. The high-level ab initio (MCSCF/MRCI level) methods with big basis set aVQZ are used to calculate 27690 potential energy points in the MOLPRO quantum chemistry package using the Jac...
| Published in: | BioMed Research International pp. 1 - 8 |
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| Main Authors: | , , , , , , , , |
| Format: | research tables/charts Journal Article |
| Published: |
Wiley-Blackwell
4/28/2022
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| Online Access: | View this record in EBSCOhost |