메뉴 건너뛰기




Volumn 44, Issue 5, 2004, Pages 1727-1736

Determination of lithium cation basicity from molecular structure

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DISSOCIATION; GIBBS FREE ENERGY; LITHIUM; MASS SPECTROMETRY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; NEURAL NETWORKS; POSITIVE IONS;

EID: 5444219557     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0498362     Document Type: Article
Times cited : (14)

References (35)
  • 1
    • 0032366914 scopus 로고    scopus 로고
    • Evaluated gas-phase basicities and proton affinities of molecules: An update
    • Hunter, E. P. L.; Lias, S. G. Evaluated Gas-Phase Basicities and Proton Affinities of Molecules: An Update. J. Phys. Chem. Ref. Data 1998, 27, 413-656.
    • (1998) J. Phys. Chem. Ref. Data , vol.27 , pp. 413-656
    • Hunter, E.P.L.1    Lias, S.G.2
  • 2
    • 33845277980 scopus 로고
    • Structural and solvent effects evaluated from acidities measured in dimethyl sulfoxide and in the gas phase
    • Taft, R. W.; Bordwell, F. G. Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase. Acc. Chem. Res. 1988, 21, 463-469.
    • (1988) Acc. Chem. Res. , vol.21 , pp. 463-469
    • Taft, R.W.1    Bordwell, F.G.2
  • 5
    • 2542591130 scopus 로고    scopus 로고
    • Ion cyclotron resonance and nuclear magnetic resonance spectroscopies: Magnetic partners for elucidation of molecular structure and reactivity
    • Marshall, A. G. Ion Cyclotron Resonance and Nuclear Magnetic Resonance Spectroscopies: Magnetic Partners for Elucidation of Molecular Structure and Reactivity. Acc. Chem. Res. 1996, 29, 307-316.
    • (1996) Acc. Chem. Res. , vol.29 , pp. 307-316
    • Marshall, A.G.1
  • 8
    • 0000999394 scopus 로고    scopus 로고
    • Noncovalent metal-ligand bond energies as studied by threshold collision-induced Dissociation
    • Rodgers, M. T.; Armentout, P. B. Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation. Mass Spectrom. Rev. 2000, 19, 215-247.
    • (2000) Mass Spectrom. Rev. , vol.19 , pp. 215-247
    • Rodgers, M.T.1    Armentout, P.B.2
  • 9
    • 0002905234 scopus 로고    scopus 로고
    • Structurally diverse quantitative structure-property relationship correlations of technologically relevant physical properties
    • Katritzky, A. R.; Maran. U.; Lobanov, V. S.; Karelson, M. Structurally Diverse Quantitative Structure-Property Relationship Correlations of Technologically Relevant Physical Properties. J. Chem. Inf. Comput. Sci. 2000, 40, 1-18.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 1-18
    • Katritzky, A.R.1    Maran, U.2    Lobanov, V.S.3    Karelson, M.4
  • 10
    • 0037362025 scopus 로고    scopus 로고
    • A QSPR study of O-H bond dissociation energy in phenols
    • Bosque, R.; Sales, J. A QSPR Study of O-H Bond Dissociation Energy in Phenols. J. Chem. Inf. Comput. Sci. 2003, 43, 637-642.
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 637-642
    • Bosque, R.1    Sales, J.2
  • 11
    • 0001752280 scopus 로고    scopus 로고
    • Predictions of hydroxyl radical rate constants from molecular structure
    • Bakken, G.; Jurs, P. C. Predictions of Hydroxyl Radical rate Constants from Molecular Structure. J. Chem. Inf. Comput. Sci. 1999, 39, 1064-1075.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 1064-1075
    • Bakken, G.1    Jurs, P.C.2
  • 12
    • 0037435994 scopus 로고    scopus 로고
    • Predictive approaches to gradient retention based on analyte structural descriptors from calculation chemistry
    • Baczek, T.; Kaliszan, R. J. Predictive approaches to gradient retention based on analyte structural descriptors from calculation chemistry. J. Chromatogr. A 2003, 987, 29-37.
    • (2003) J. Chromatogr. A , vol.987 , pp. 29-37
    • Baczek, T.1    Kaliszan, R.J.2
  • 14
    • 0029991212 scopus 로고    scopus 로고
    • 13C nuclear magnetic resonance spectra of dibenzofurans using multiple regression analysis and neural networks
    • 13C nuclear magnetic resonance spectra of dibenzofurans using multiple regression analysis and neural networks. Anal. Chim. Acta 1996, 321, 127-135.
    • (1996) Anal. Chim. Acta , vol.321 , pp. 127-135
    • Clouser, D.L.1    Jurs, P.C.2
  • 17
    • 37049074367 scopus 로고
    • Using theoretical descriptors in quantitative-activity relationships: Gas-phase acidity
    • Famini, G. R.; Marquez, B. C.; Wilson, L. Y. Using Theoretical Descriptors in Quantitative-Activity Relationships: Gas-Phase Acidity. J. Chem. Soc., Perkin Trans. 2 1993, 773-782.
    • (1993) J. Chem. Soc., Perkin Trans. , vol.2 , pp. 773-782
    • Famini, G.R.1    Marquez, B.C.2    Wilson, L.Y.3
  • 19
  • 20
    • 0037461637 scopus 로고    scopus 로고
    • The lithium binding energy Of gaseous amino acids
    • Feng, W. Y.; Gronert, S.; Lebrilla, C. The Lithium Binding Energy of Gaseous Amino Acids. J. Phys. Chem. A 2003, 107, 405-410.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 405-410
    • Feng, W.Y.1    Gronert, S.2    Lebrilla, C.3
  • 21
    • 0041931000 scopus 로고    scopus 로고
    • Lithium-cation/ π complexes of aromatic systems. the effect of increasing the number of fused rings
    • Gal, J.-F.; Maria, P.-C.; Decouzon, M.; Mo, O.; Yañez, M.; Abboud, J.-L. Lithium-Cation/ π Complexes of Aromatic Systems. The Effect of Increasing the Number of Fused Rings. J. Am. Chem. Soc. 2003, 125, 10394-10401.
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 10394-10401
    • Gal, J.-F.1    Maria, P.-C.2    Decouzon, M.3    Mo, O.4    Yañez, M.5    Abboud, J.-L.6
  • 25
    • 0000356254 scopus 로고
    • Calculation Schemes for atomic electronegativities in molecular graphs within the framework of Sanderson Principle
    • Zefirov, N. S.; Kirpichenok, M. A.; Izmailov, F. F.; Trofimov, M. I. Calculation Schemes for atomic electronegativities in molecular graphs within the framework of Sanderson Principle. Dokl. Akad. SSSR 1987, 290, 883-887.
    • (1987) Dokl. Akad. SSSR , vol.290 , pp. 883-887
    • Zefirov, N.S.1    Kirpichenok, M.A.2    Izmailov, F.F.3    Trofimov, M.I.4
  • 26
    • 10344253046 scopus 로고
    • Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies
    • Stanton, D. T.; Jurs, P. C. Development and Use of Charged Partial Surface Area Structural Descriptors in Computer-Assisted Quantitative Structure-Property Relationship Studies. Anal. Chem. 1990, 62, 2323-2329.
    • (1990) Anal. Chem. , vol.62 , pp. 2323-2329
    • Stanton, D.T.1    Jurs, P.C.2
  • 27
    • 0000955808 scopus 로고
    • Computer-assisted prediction of normal boiling points of pyrans and pyrroles
    • Stanton, D. T.; Egolf, L. M.; Jurs, P. C. Computer-Assisted Prediction of Normal Boiling Points of Pyrans and Pyrroles. J. Chem. Inf. Comput. Sci. 1992, 32, 306-316.
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 306-316
    • Stanton, D.T.1    Egolf, L.M.2    Jurs, P.C.3
  • 28
    • 0002841895 scopus 로고
    • Olson, E. C., Christorffersen, R. E., Eds.; The American Chemical Society: Washington, DC
    • Jurs, P. C.; Chow, J. T.; Yuan, M. In Computer-Assisted Drug Design; Olson, E. C., Christorffersen, R. E., Eds.; The American Chemical Society: Washington, DC, 1979; pp 103-129.
    • (1979) Computer-Assisted Drug Design , pp. 103-129
    • Jurs, P.C.1    Chow, J.T.2    Yuan, M.3
  • 30
    • 0028548591 scopus 로고
    • Evolutionary programming applied to the development of quantitative structure-activity relationships and quantitative structure-property relationships
    • Luke, B. T. Evolutionary Programming Applied to the Development of Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships. J. Chem. Inf. Comput. Sci. 1994, 34, 1279-1287.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 1279-1287
    • Luke, B.T.1
  • 31
    • 0029230341 scopus 로고
    • Automated descriptor selection for quantitative structure-activity relationships using generalized simulated annealing
    • Sutter, J. M.; Dixon, S. L.; Jurs, P. C. Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. J. Chem. Inf. Comput. Sci. 1995, 35, 77-84.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 77-84
    • Sutter, J.M.1    Dixon, S.L.2    Jurs, P.C.3
  • 32
    • 0028287738 scopus 로고
    • Quantitative structure-activity relationships for toxicity of phenols using regression analysis and computational neural networks
    • Xu, L.; Ball, J. W.; Dixon, S. L.; Jurs, P. C. Quantitative Structure-Activity Relationships for Toxicity of Phenols Using Regression Analysis and Computational Neural Networks. Environ. Toxicol. Chem. 1994, 13, 841-851.
    • (1994) Environ. Toxicol. Chem. , vol.13 , pp. 841-851
    • Xu, L.1    Ball, J.W.2    Dixon, S.L.3    Jurs, P.C.4
  • 33
    • 12044254082 scopus 로고
    • Prediction of reduced ion mobility constants from structural information using multiple linear regression analysis and computational neural networks
    • Wessel, M. D.; Jurs, P. C. Prediction of Reduced Ion Mobility Constants from Structural Information Using Multiple Linear Regression Analysis and Computational Neural Networks. Anal. Chem. 1994, 66, 2480-2487.
    • (1994) Anal. Chem. , vol.66 , pp. 2480-2487
    • Wessel, M.D.1    Jurs, P.C.2
  • 34
    • 0027212862 scopus 로고
    • Statistics using neural networks: Chance effects
    • Livingstone, D. J.; Manallack, D. T. Statistics Using Neural Networks: Chance Effects. J. Med. Chem. 1993, 36, 1295-1297.
    • (1993) J. Med. Chem. , vol.36 , pp. 1295-1297
    • Livingstone, D.J.1    Manallack, D.T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.