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Principal component analysis of substituent constants
Collection of Czechoslovak Chemical Communications, 1990The principal component analysis has been applied to a data matrix formed by 7 usual substituent constants for 38 substituents. Three factors are able to explain 99.4% cumulative proportion of total variance. Several rotations have been carried out for the first two factors in order to obtain their physical meaning.
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Substituent effects on hyperfine coupling constants
198827 monosubstituted benzenes OX were measured either as pure liquids or in concentrated solutions. We use toluene as a model case to discuss the observed features and the assignment procedure. Three spectra are shown in Figure 5.1. At 3 kG three pairs of lines are observed (top).
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Polar ortho-substituent constants
Chemical Communications (London), 1968G. G. Smith, K. K. Lum
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Spectroscopic substituent constants for ligands
Inorganic Chemistry, 1975Luigi G. Marzilli +3 more
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Aromatic substituent constants for structure-activity correlations
Journal of Medicinal Chemistry, 1973C, Hansch +5 more
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The charge-transfer constant. A new substituent constant for structure-activity relationships.
Journal of medicinal chemistry, 1975A new, versatile constant accounting for the pi-complex formation ability of aromatic systems is proposed. The constant is derived from charge-transfer complex data of aromatic species (charge-transfer constant, CT). The applicability of CT in structure-reactivity relations is demonstrated.
B, Hetnarski, R D, O'Brien
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The Use of Substituent Constants in the Correlation of Demethylation Rates
Journal of Medicinal Chemistry, 1965C, Hansch, A R, Steward, J, Iwasa
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The Substituent Constant of the 3,4-Benzo Group
The Journal of Organic Chemistry, 1959A. FISCHER +4 more
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Constant Ortho Effect with an Interacting Substituent
The Journal of Organic Chemistry, 1957A. E. KELLIE +2 more
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