-
1
-
-
33947453229
-
Polar and steric substituent constants for aliphatic and o-benzoate groups from rates of esterification and hydrolysis of esters
-
Taft, R. W., Jr. Polar and Steric Substituent Constants for Aliphatic and o-Benzoate Groups from Rates of Esterification and Hydrolysis of Esters. J. Am. Chem. Soc. 1952, 74, 3120-3128.
-
(1952)
J. Am. Chem. Soc.
, vol.74
, pp. 3120-3128
-
-
Taft Jr., R.W.1
-
2
-
-
0343145764
-
Calculations of steric hindrance in ester hydrolysis based on estimation of van der Waals strain energies of alkanes
-
DeTar, D. F.; Tenpas, C. J. Calculations of Steric Hindrance in Ester Hydrolysis Based on Estimation of van der Waals Strain Energies of Alkanes. J. Am. Chem. Soc. 1976, 98, 4567-4571.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 4567-4571
-
-
DeTar, D.F.1
Tenpas, C.J.2
-
3
-
-
1042271499
-
Theoretical calculation of steric effects in ester hydrolysis
-
DeTar, D. F.; Tenpas, C. J. Theoretical Calculation of Steric Effects in Ester Hydrolysis. J. Am. Chem. Soc. 1976, 98, 7903-7908.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 7903-7908
-
-
DeTar, D.F.1
Tenpas, C.J.2
-
4
-
-
0344371721
-
Quantitative separation of hyperconjugation effects from steric substituent constants
-
Hancock, C. K.; Meyers, E. A.; Yager, B. J. Quantitative Separation of Hyperconjugation Effects from Steric Substituent Constants. J. Am. Chem. Soc. 1961, 83, 4211-4213.
-
(1961)
J. Am. Chem. Soc.
, vol.83
, pp. 4211-4213
-
-
Hancock, C.K.1
Meyers, E.A.2
Yager, B.J.3
-
5
-
-
33847800493
-
Steric effects. Base-catalyzed ester hydrolysis
-
Charton, M. Steric Effects. Base-Catalyzed Ester Hydrolysis. J. Am. Chem. Soc. 1975, 97, 3991-3693.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 3691-3693
-
-
Charton, M.1
-
6
-
-
0000595612
-
Steric effects. Bimolecular nucleophilic substitution
-
Charton, M. Steric Effects. Bimolecular Nucleophilic Substitution. J. Am. Chem. Soc. 1975, 97, 3694-3697.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 3694-3697
-
-
Charton, M.1
-
7
-
-
0001720751
-
Steric effects. 13. Composition of the steric parameter as a function of alkyl branching
-
Charton, M. Steric Effects. 13. Composition of the Steric Parameter as a Function of Alkyl Branching. J. Org. Chem. 1978, 43, 3995-4001.
-
(1978)
J. Org. Chem.
, vol.43
, pp. 3995-4001
-
-
Charton, M.1
-
8
-
-
0001711889
-
Substituent effects on thermochemical properties of free radicals. New substituent scales for C-centered radicals
-
Cherkasov, A.; Jonsson, M. Substituent Effects on Thermochemical Properties of Free Radicals. New Substituent Scales for C-Centered Radicals. J. Chem. Inf. Comput. Sci. 1998, 38, 1151-1156.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 1151-1156
-
-
Cherkasov, A.1
Jonsson, M.2
-
9
-
-
0000894262
-
Substituent effects on thermochemical properties of C-, N-, O-, and S-centered radicals. Physical interpretation of substituent effects
-
Cherkasov, A.; Jonsson, M. Substituent Effects on Thermochemical Properties of C-, N-, O-, and S-Centered Radicals. Physical Interpretation of Substituent Effects. J. Chem. Inf. Comput. Sci. 1999, 39, 1057-1063.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 1057-1063
-
-
Cherkasov, A.1
Jonsson, M.2
-
11
-
-
0002847516
-
Simulation of slow reaction with quantum character: Neutral hydrolysis of carboxylic ester
-
Marc, F. L.; Janez, M.; Herman, J. C. B. Simulation of Slow Reaction with Quantum Character: Neutral Hydrolysis of Carboxylic Ester. J. Chemput. Chem. 1999, 20(8), 886-895.
-
(1999)
J. Chemput. Chem.
, vol.20
, Issue.8
, pp. 886-895
-
-
Marc, F.L.1
Janez, M.2
Herman, J.C.B.3
-
12
-
-
0037205574
-
Naturally chiral metal surface as enaniospecific adsorbents
-
David, S. S.; Aravind, A.; Timothy, D. P. Naturally Chiral Metal Surface as Enaniospecific Adsorbents. J. Phys. Chem. B 2001, 21, 4771-4782.
-
(2001)
J. Phys. Chem. B
, vol.21
, pp. 4771-4782
-
-
David, S.S.1
Aravind, A.2
Timothy, D.P.3
-
13
-
-
0034092393
-
Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies
-
Gironés, X.; Amat, L.; Robert, D.; Carbó-Dorca, R. Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies. J. Comput.-Aided Mol. Des. 2000, 14, 477-485.
-
(2000)
J. Comput.-Aided Mol. Des.
, vol.14
, pp. 477-485
-
-
Gironés, X.1
Amat, L.2
Robert, D.3
Carbó-Dorca, R.4
-
14
-
-
0035412779
-
Can 3D structural parameters be predicted from 2D (topological) molecular descriptors?
-
Estrada, E.; Molina, E.; Perdomo, L. I. Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors? J. Chem. Inf. Comput. Sci. 2001, 41, 1015-1021.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1015-1021
-
-
Estrada, E.1
Molina, E.2
Perdomo, L.I.3
-
15
-
-
0041720481
-
Design of topological indices. Part 6. A new topological parameter for the steric effect of alkyl substituents
-
Ivanciuc, O.; Balaban, A. T. Design of Topological Indices. Part 6. A New Topological parameter for the Steric Effect of Alkyl Substituents. Croat. Chem. Acta 1996, 69, 75-83.
-
(1996)
Croat. Chem. Acta
, vol.69
, pp. 75-83
-
-
Ivanciuc, O.1
Balaban, A.T.2
-
16
-
-
8644280181
-
Characterization of molecular branching
-
Randic, M. Characterization of Molecular Branching. J. Am. Chem. Soc. 1975, 97, 6609-6615.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 6609-6615
-
-
Randic, M.1
-
17
-
-
84987067884
-
A substituent steric effect index based on the molecular graph
-
Kier, L. B. A Substituent Steric Effect Index Based on the Molecular Graph. Quant. Struct.-Act. Relat. 1987, 6, 117-122.
-
(1987)
Quant. Struct.-Act. Relat.
, vol.6
, pp. 117-122
-
-
Kier, L.B.1
-
20
-
-
0035810448
-
N2 reactions. The influence of microsolvation
-
N2 Reactions. The Influence of Microsolvation. J. Phys. Chem. A 2001, 105, 3259-3268.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 3259-3268
-
-
Mohamed, A.A.1
Jensen, F.2
-
22
-
-
0012255926
-
Quantitative description of steric and electrical effects of planar π-bonded groups. 1. Variation of dihedral angle with the size of an adjacent group
-
Charton, M. Quantitative Description of Steric and Electrical Effects of Planar π-Bonded Groups. 1. Variation of Dihedral Angle with the Size of an Adjacent Group. J. Org. Chem. 1983, 48, 1011-1015.
-
(1983)
J. Org. Chem.
, vol.48
, pp. 1011-1015
-
-
Charton, M.1
-
23
-
-
4243664295
-
A survey of Hammett substituent constants and resonance and field parameters
-
Hansch, C.; Leo, A.; Taft, R. W. A survey of Hammett substituent constants and resonance and field parameters. Chem. Rev. 1991, 91, 165-195.
-
(1991)
Chem. Rev.
, vol.91
, pp. 165-195
-
-
Hansch, C.1
Leo, A.2
Taft, R.W.3
-
24
-
-
33847800833
-
Stereochemistry of organometallic compound addition to ketone
-
Ashby, E. C.; Laemmle, J. T. Stereochemistry of Organometallic Compound Addition to Ketone. Chem. Rev. 1975, 75, 521-546.
-
(1975)
Chem. Rev.
, vol.75
, pp. 521-546
-
-
Ashby, E.C.1
Laemmle, J.T.2
-
25
-
-
0027701862
-
A steric model for the prediction of stereoselectivity at carbonyl carbons in cyclic compounds
-
Lagerstedt, I. C.; Olsson, T. A Steric Model for the Prediction of Stereoselectivity at Carbonyl Carbons in Cyclic Compounds. J. Chem. Inf. Comput. Sci. 1993, 33, 896-904.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 896-904
-
-
Lagerstedt, I.C.1
Olsson, T.2
|