Abstract
“Every attempt to employ mathematical methods in the study of chemical questions must be considered profoundly irrational and contrary to the spirit of chemistry. If mathematical analysis should ever hold a prominent place in chemistry — an aberration which is happily almost impossible — it would occasion a rapid and widespread degeneration of that science.”
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References
Truhlar D.G. (Ed.): “Mathematical Frontiers in Computational Chemical Physics”, Springer-Verlag, Berlin, 1988.
Hoffman R.: “Solids and Surfaces, A Chemist’s View of Bonding in Extended Structures”, VCH, Weinheim, 1988.
Williams A.R.; Kuebler J., and Gelatt J.R., Phys. Rev., B19, 6096 (1979).
Roos B.O. (Ed.): “Lecture Notes in Quantum Chemistry”, Springer-Verlag, Berlin, 1992
Van Gunsteren W.E.: Moleküldynamik-Computersimulationen; Methodik, Anwendung und Perspektiven in der Chemie, Angew. Chemie, 102, 1020 (1990).
Allan, N.L.; Catlow C.R.A.; Colburn E.A.: Computer modelling of materials, Chemistry in Britain, 11, 1079 (1990).
Catlow C.R.A.; Bell R.G.; Gale J.D.: Computer Modelling as a Technique in Materials Chemistry, J. Mater. Chem., 4, 781 (1994).
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© 1996 John Wiley & Sons Ltd and B. G. Teubner
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Schöffel, K. (1996). The Role of Computational Molecular and Material Science for the Chemical Industry. In: Neunzert, H. (eds) Progress in Industrial Mathematics at ECMI 94. Vieweg+Teubner Verlag. https://doi.org/10.1007/978-3-322-82967-2_18
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DOI: https://doi.org/10.1007/978-3-322-82967-2_18
Publisher Name: Vieweg+Teubner Verlag
Print ISBN: 978-3-322-82968-9
Online ISBN: 978-3-322-82967-2
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