Abstract
The theory of DNMR spectra outlined in Chap. 3 is now generalized to systems of coupled nuclei in molecules undergoing intramolecular exchange. The complications and advantages resulting from molecular symmetry are exposed. Illustrative experimental examples are given.
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Change history
06 February 2019
In the original version of the book, belated corrections from author for Chapters 2–7, 9 and Appendix C have been incorporated. The correction book has been updated with the changes.
References
Z.S. Szalay, J. Rohonczy, Prog. Nucl. Magn. Reson. Spectrosc. 56, 198 (2010)
Z.S. Szalay, J. Rohonczy, J. Comput. Chem. 32, 1262 (2011)
CUDA Programming Manual (2018), https://developer.download.nvidia.com/compute/DevZone/docs/html/C/doc/CUDA_C_Programming_Guide.pdf. Accessed 30 Jan 2018
S. Alexander, J. Chem. Phys. 37, 967 (1962)
C.S. Johnson, J. Chem. Phys. 41, 3277 (1964)
G. Binsch, J. Am. Chem. Soc. 91, 1304 (1969)
D.A. Kleier, G. Binsch, J. Magn. Reson. 3, 146 (1970)
I. Kuprov, A SPINACH Library (2018), http://spindynamics.org/Spinach.php. Accessed 18 Jan 2018
S. Szymański, Mol. Phys. 55, 763 (1985)
H.C. Longuett-Higgins, Mol. Phys. 6, 445 (1963)
S. Szymański, G. Binsch, in Annual Reports on NMR Spectroscopy, vol. 23, ed. by G.A. Webb (Academic Press, London, 2001), p. 210
W. Klemperer, in Dynamic Nuclear Magnetic Resonance Spectroscopy, ed. by L.M. Jackman, F.A. Cotton (Academic Press, New York, 1975). (Chap. 2 and references therein)
D.S. Stephenson, G. Binsch, QCPE 11, 365 (1978)
Z. Luz, R. Naor, Mol. Phys. 46, 891 (1982)
P. Meakin, L.J. Guggenbe, W.G. Peet, E.L. Muettert, J.P. Jesson, J. Am. Chem. Soc. 95, 1467 (1973)
P. Meakin, E.L. Muettert, J.P. Jesson, J. Am. Chem. Soc. 95, 75 (1973)
L. Jansen, M.H. Boon, Theory of Finite Groups: Applications in Physics (North-Holland, Amsterdam, 1967). (Chap. 2)
S. Szymański, J. Magn. Res. 77, 320 (1988)
S. Szymański, P. Paluch, D.T. Gryko, A. Nowak-Król, W. Bocian, J. Sitkowski, B. Koszarna, J. Śniechowska, M.J. Potrzebowski, L. Kozerski, Chem. Eur. J. 20, 1720 (2014)
H. Dodziuk, S. Szymański, J. Jaźwiński, M.E. Marchwiany, H. Hopf, J. Phys. Chem. A 114, 10467 (2010)
S. Szymański, H. Dodziuk, M. Pietrzak, J. Jaźwiński, T. Demissie, H. Hopf, J. Phys. Org. Chem. 26, 596 (2013)
H.J. Hogben, M. Krzystyniak, G.T.P. Charnock, R.J. Hore, I. Kuprov, J. Magn. Reson. 208, 179 (2011)
Further Reading
J. Higinbotham, I. Marshall, in Annual Reports on NMR Spectroscopy, vol. 43, ed. by G.A. Webb (Academic Press, New York, 2001). (Chap. 2)
A.D. Bain, B. Berno, Prog. Nucl. Magn. Reson. Spectrosc. 59, 223 (2011)
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Szymański, S., Bernatowicz, P. (2018). Discrete Molecular Dynamics and NMR Line Shape Effects. Intramolecular Exchange. In: Classical and Quantum Molecular Dynamics in NMR Spectra. Springer, Cham. https://doi.org/10.1007/978-3-319-90781-9_5
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