Principal component analysis in studies of substituent-induced carbon-13 chemical shifts of halogenated aliphatic compounds

Journal of Molecular Structure: THEOCHEM

Volumn 681, Issue 1-3, 2004, Pages 47-49

  Tasic, L ^a   Rittner, R ^b  

^a LABORATÓRIO NACIONAL DE LUZ SÍNCROTRON   (Brazil)

^b UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

halogen derivatives; 13C NMR chemical shifts; Aliphatic compounds; Principal component analysis

Indexed keywords

ALIPHATIC COMPOUND; CARBON 13; HALIDE;

ANALYTIC METHOD; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; CHEMOMETRICS; HALOGENATION; SEPARATION TECHNIQUE; STRUCTURE ANALYSIS; THEORETICAL STUDY;

EID: 3543002282     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.03.008     Document Type: Article

References (15)

1. Olivato P.R., Rittner R. Rev. Heteroatom Chem. 15:1996;115
2. Wiberg K., Pratt W., Bailey W. J. Org. Chem. 45:1980;4936
3. Tasic L., Rittner R. Ann. Magn. Reson. 1:2002;15
4. Tasic L., Rittner R. J. Mol. Struct. 616:2002;49
5. Tasic L., Abraham R.J., Rittner R. Magn. Reson. Chem. 40:2002;449
6. Canto E.L., Tasic L., Bruns R.E., Rittner R. Magn. Reson. Chem. 39:2001;316
7. Tasic L., Rittner R., Ferreira M.M.C. An. Resson. Magn. Nucl. 6:1999;107
8. Kaiser C.R., Rittner R., Basso E.A. Magn. Reson. Chem. 35:1997;609
9. Rittner R., Braibante M.E.F. Magn. Reson. Chem. 30:1992;420
10. Freitas M.P., Campos M.G., Tormena C., Rittner C. Can. J. Anal. Sci. Spectrosc. 45:2000;148
11. R. Sofia, PhD Thesis, UNICAMP, 1996.
12. C. Tormena, PhD Thesis, UNICAMP, 2000.
13. I. Schuquel, PhD Thesis, UNICAMP, 2002.
14. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomeli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 98, Revision A.7, Gaussian, Pittsburgh, 1998.
15. Pirouette, Version 2.01, Infometrix, Washington, 1996.