関連図書/文献 1) Molecular Orbital Theory of the Properties of Incorganic and Organometallic Compounds 4. Extended Basis Sets for Third- and Forth-Row, Main-Group Elements   K.D. Dobbs and W.J. Hehre   Journal of Computational Chemistry, Vol.7, No.3, 359-378 (1986)     2) A Continuum Solvation Model for the AM1 Semi-Empirical Method   Richard W. Dixon, Joseph M. Leonard, and Warren J. Hehre   Israel Journal of Chemistry Vol.33 1993 pp.427-434     3) Ab Initio Molecular Orbital Theory   W.J.Hehre, L.Radom, P.v.R.Schleyer, J.A.Pople   John Wiley & Sons, Inc. 1986 ISBN 0-471-81241-2   　 4) Comparison of NMR shieldings calculated from Hartree-Fock and density functional wave functions using gauge-including atomic orbitals.   Rauhut G., Puyear S., Wolinski K., Pulay P.,   JOURNAL OF PHYSICAL CHEMISTRY, 100 : 6310-6316, 1996   　 5) Seft-consistent perturbation theory of diamagnetism. I. Gauge invarient LCAO method for NMR chemical shifts.   Ditchfield, R.,   MOLECULAR PHYSICS, 27: 789-807, 1974     6) その他NMRに関する文献 K. Wolinski, J. F. Hinton, P. Pulay, J. Am. Chem. Soc., 112, 8251, (1990) M. Haser, R. Ahlrichs, H. P. Baron, P. Weiss and H. Horn, Theo. Chim. Acta., 83, 455, (1992) C. Ochsenfeld, Phys. Chem. Chem. Phys., 2, 2153, (2000) C. Ochsenfeld, S. P. Brown, I. Schnell, J. Gauss and H. W. Spiess, J. Am. Chem. Soc., 123, 2597, (2001)