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Principal component analysis of substituent constants

Collection of Czechoslovak Chemical Communications, 1990
The 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

1988
27 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), 1968
G. G. Smith, K. K. Lum
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Spectroscopic substituent constants for ligands

Inorganic Chemistry, 1975
Luigi G. Marzilli   +3 more
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Aromatic substituent constants for structure-activity correlations

Journal of Medicinal Chemistry, 1973
C, Hansch   +5 more
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The charge-transfer constant. A new substituent constant for structure-activity relationships.

Journal of medicinal chemistry, 1975
A 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 Substituent Constant of the 3,4-Benzo Group

The Journal of Organic Chemistry, 1959
A. FISCHER   +4 more
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Constant Ortho Effect with an Interacting Substituent

The Journal of Organic Chemistry, 1957
A. E. KELLIE   +2 more
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