The Semiexperimental Approach at Work: Equilibrium Structure of Radical Species
Author:
Affiliation:
1. Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, Via F. Selmi 2, I-40126 Bologna, Italy
2. INSTM, via G. Giusti 9, 50121 Firenze, Italy
Funder
Universit? di Bologna
European Cooperation in Science and Technology
Ministero dell'Universit? e della Ricerca
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c01758
Reference183 articles.
1. Connections between the accuracy of rotational constants and equilibrium molecular structures
2. Cubic force constants and equilibrium geometry of methane from Hartree–Fock and correlated wavefunctions
3. Experimental, semi-experimental andab initioequilibrium structures
4. Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy
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