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Relationship between nucleophilicity/electrophilcity indices and reaction mechanisms for the nucleophilic substitution reactions of carbonyl compounds
(John Wiley and Sons Ltd, 2004)
Theoretical electrophilicity and nucleophilicity scales, defined in terms of electronic reactivity indices, were tested for the reaction of a series of carbonates with neutral and charged reagents of varying nucleophilicity. ...
Quantitative characterization of the global philicity patterns of common diene/dienophile pairs in cycloaddition reactions II: the interacting pair model
(Elsevier, 2015)
We present a unified model of electrophilicity and nucleophilicity that considers the electrophile/nucleophile
pair in an interacting regime, thereby avoiding the arbitrariness of defining them as the opposite
ends of a ...
Are Electrophilicity and Electrofugality Related Concepts? A Density Functional Theory Study
(2011)
It is proposed that the electrofugality of a fragment within a molecule is determined by its group nucleophilicity. The variation of electrofugality should be tightly related to the electron releasing ability of the ...
Are Electrophilicity and Electrofugality Related Concepts? A Density Functional Theory Study
(2011)
It is proposed that the electrofugality of a fragment within a molecule is determined by its group nucleophilicity. The variation of electrofugality should be tightly related to the electron releasing ability of the ...
Intrinsic Relative Scales of Electrophilicity and Nucleophilicity
(AMER CHEMICAL SOC, 2013)
Intrinsic Relative Scales of Electrophilicity and Nucleophilicity
(AMER CHEMICAL SOC, 2013)
Nucleophilicity scale for n- and pi-nucleophiles
(ELSEVIER, 2006-08-31)
A recently introduced empirical nucleophilicity index for a series of n- and pi-nucleophiles was evaluated. The index is based on the frontier molecular orbital information of the nucleophile and its electrophilic partner. ...
Nucleophilicity scale for n- and π-nucleophiles
(2006)
A recently introduced empirical nucleophilicity index for a series of n- and π-nucleophiles was evaluated. The index is based on the frontier molecular orbital information of the nucleophile and its electrophilic partner. ...