Spectral Density Functions:
Dipolar Interactions:
Chemical Shift Anisotropy (CSA) Interactions:
Ditchfield, R. Mol. Phys. 1974, 27, 789.
Cf. Wolinski, K.; Hinton, J. F.; Pulay, P. J. Am.Chem. Soc. 1990, 112, 8251.
Cf. Cheeseman, J.R.; Trucks, G.W.; Keith, T. A.; Frisch, M. J. J. Chem. Phys. 1996, in press for the implementation that is found in Gaussian-94.
Gaussian 94, Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B.G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B. Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, S. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A.
Duncan, T. M.; A Compilation of Chemical Shift Anisotropies. Farragut: Chicago, IL, 1990.
Spiess, H. W.; In NMR: Basic Principles and Progress.; Diehl, P., Fluck, E., Kosfeld, R.Ed.; Springer-Verlag: NY, NY, 1978; Vol. 15.
Publications Relating to this Work:
Lapham, J. P. PhD. Thesis, Yale University, May 1998.
Jon Lapham