How accurately can we calculate molecular CH and CC re distances by DFT methods? Dependence on basis sets and functionals, estimations of experimentally inaccessible re distances and distance-dependent scaling factors for approximations of triple-zeta quality
- 1 February 2002
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 578 (1-3) , 229-247
- https://doi.org/10.1016/s0166-1280(01)00703-5
Abstract
No abstract availableKeywords
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