Towards physical interpretation of Hammett constants: charge transferred between active regions of substituents and a functional group

Computational evaluation of σI and σR substituent constants

(2010) Diana Cheshmedzhieva et al.   JOURNAL OF MOLECULAR STRUCTURE

Theoretical study on the structures and properties of LiCn, , and (n=1–10) clusters

(2009) Guoliang Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Natural bond orbital population analysis of para-substituted O-nitrosyl carboxylate compounds

(2009) Li Xiao-Hong et al.   STRUCTURAL CHEMISTRY

Relationship between the electrophilicity and σp Hammett constant in Baeyer–Villiger reactions

(2008) L. Meneses et al.   CHEMICAL PHYSICS LETTERS

Predicting Reactivities of Organic Molecules. Theoretical and Experimental Studies on the Aminolysis of Phenyl Acetates

(2008) Boris Galabov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study of the Decomposition Reactions in Substituted Nitrobenzenes

(2008) Guillaume Fayet et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Origin of the SN2 Benzylic Effect

(2008) Boris Galabov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Use of molecular electrostatic potential for quantitative assessment of inductive effect

(2008) Cherumuttathu H. Suresh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS