Abstract
Understanding mechanisms and rates of chemical reactions is one of the goals of theoretical molecular science. Ab initio molecular orbital studies can contribute substantially to this purpose by providing qualitative and sometimes quantitative information of potential energy surfaces on which chemical reactions take place [1].
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References
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Morokuma, K., Kato, S., Kitaura, K., Obara, S., Ohta, K., Hanamura, M. (1983). Potential Energy Surfaces of Chemical Reactions. In: Löwdin, PO., Pullman, B. (eds) New Horizons of Quantum Chemistry. International Academy of Quantum Molecular Science, vol 4. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-7950-5_16
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DOI: https://doi.org/10.1007/978-94-009-7950-5_16
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