Computational Study of the Alkylation Reaction of the Nitrogen Mustard Mechlorethamine Using NBO Model and the QTAIM Theory
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چکیده
منابع مشابه
Computational Study of the Alkylation Reaction of the Nitrogen Mustard Mechlorethamine Using NBO Model and the QTAIM Theory
Substances known as nitrogen mustards turn into aziridinium ion through the intramolecular cyclization SN1. This ion reacts with the DNA preferably at the N7 position of the guanine, and because of this, it is an important antineoplastic agent. Based on this, the objective of this study is to quantify the interaction between the nitrogen mustard mechlorethamine and the guanine, using the NBO an...
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ژورنال
عنوان ژورنال: Open Journal of Physical Chemistry
سال: 2013
ISSN: 2162-1969,2162-1977
DOI: 10.4236/ojpc.2013.34016