Computational Study of the Alkylation Reaction of the Nitrogen Mustard Mechlorethamine Using NBO Model and the QTAIM Theory

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ISSN Print: 2162-1969
ISSN Online: 2162-1977
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"Computational Study of the Alkylation Reaction of the Nitrogen Mustard Mechlorethamine Using NBO Model and the QTAIM Theory"
written by Michell O. Almeida, Sérgio Henrique D. M. Faria,
published by Open Journal of Physical Chemistry, Vol.3 No.4, 2013

has been cited by the following article(s):

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[2]	Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike …
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[3]	Computational investigation of the carmustine (BCNU) alkylation mechanism using the QTAIM, IQA, and NBO models
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[4]	Productivity yielding in shell and tube heat exchanger by MCDM-NBO approach
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[5]	Investigações QTAIM de propriedades espectroscópicas e reatividades químicas
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[6]	G.; Honório, K., M
	2017

[7]	Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance …
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[8]	Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance …
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[9]	Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a …
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[10]	Potentiometric Titration and Out-Of-Equilibrium pH Response of the Biotite‑Water System
	2015

[1]	Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein – Human ACE2 interface Journal of Molecular Structure, 2021 DOI:10.1016/j.molstruc.2021.130076

[2]	Acidic Stabilization of the Dual-Aromatic Heterocyclic Anions Catalysts, 2021 DOI:10.3390/catal11070766

[3]	Computational investigation of the carmustine (BCNU) alkylation mechanism using the QTAIM, IQA, and NBO models Structural Chemistry, 2021 DOI:10.1007/s11224-020-01604-x

[4]	Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein – Human ACE2 interface Journal of Molecular Structure, 2021 DOI:10.1016/j.molstruc.2021.130076

[5]	Productivity yielding in shell and tube heat exchanger by MCDM-NBO approach Measurement and Control, 2019 DOI:10.1177/0020294019836109

[6]	Organic Reaction Mechanisms · 2014 Organic Reaction Mechanisms Series, 2018 DOI:10.1002/9781118941829.ch7

[7]	Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2017 DOI:10.1016/j.saa.2017.04.070

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