THE EFFECT OF SUBSTITUENTS ON THE DEPROTONATION ENERGY OF SELECTED PRIMARY, SECONDARY AND TERTIARY ALCOHOLS

[1]  Michael J. Frisch,et al.  Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets , 1984 .

[2]  Timothy Clark,et al.  Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F , 1983 .

[3]  J. Pople,et al.  Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements , 1982 .

[4]  H. Schlegel,et al.  Optimization of equilibrium geometries and transition structures , 1982 .

[5]  Mark S. Gordon,et al.  The isomers of silacyclopropane , 1980 .

[6]  W. Reeve,et al.  A new method for the determination of the relative acidities of alcohols in alcoholic solutions. The nucleophilicities and competitive reactivities of alkoxides and phenoxides , 1979 .

[7]  R. T. McIver,et al.  Substituent and solvation effects on gas-phase acidities , 1979 .

[8]  R. T. McIver,et al.  Scale of acidities in the gas phase from methanol to phenol , 1979 .

[9]  I. Csizmadia,et al.  Near‐molecular Hartree‐Fock wavefunctions for CH3O−, CH3OH, and CH3OH2+ , 1973 .

[10]  J. Pople,et al.  Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules , 1972 .

[11]  T. H. Dunning.  Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First‐Row Atoms , 1970 .