In particular, the contributions of the intramolecular effects are worth mentioning, showing that while intramolecular interactions (lines 268–270) seem negligible, the ring strain effects (lines 271–273) are quite significant and follow the expected order and sign.
← all excerpts
A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability.
1
—
—