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Volumn 44, Issue 2, 2004, Pages 678-687

Topological steric effect index and its application

Author keywords

[No Author keywords available]

Indexed keywords

MAGNESIUM COMPOUNDS; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; PHOTOELECTRON SPECTROSCOPY; RATE CONSTANTS;

EID: 1842790550     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci034266b     Document Type: Article
Times cited : (31)

References (26)
  • 1
    • 33947453229 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.