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Conformational preferences of the axial ligands in some metalloporphyrins. A theoretical study

✍ Scribed by Marie-Madeleine Rohmer; Alain Strich; Alain Veillard

Publisher
Springer
Year
1984
Tongue
English
Weight
607 KB
Volume
65
Category
Article
ISSN
1432-2234

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## Abstract Quantum chemical study of __N__‐formylformamide (NFF) was carried out at various theoretical levels and the determinate equilibrium conformations were recomputed at the high level ab initio methods such as G2MP2, G2, G3, and complete basis set (CBS)‐QB3. The computational results reveal