Theoretical study (CC2, DFT and PCM) of charge transfer complexes between antithyroid thioamides and TCNE: electronic CT transitions-Reference-Cited by-同舟云学术

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Theoretical study (CC2, DFT and PCM) of charge transfer complexes between antithyroid thioamides and TCNE: electronic CT transitions

Published:2014-06 Issue:6 Volume:20 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Mach Pavel,Budzák Šimon,Juhász György,Medveď Miroslav,Kyseľ Ondrej

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-014-2312-7.pdf

Reference54 articles.

1. Nakamura H, Noh JY, Itoh K, Fukata S, Miyauchi A, Hamada N, Gu WGJTA (2007) Comparison of methimazole and propylthiouracil in patients with hyperthyroidism caused by Graves’ disease. J Clin Endocrinol Metab 92(6):2157–2162. doi: 10.1210/Jc.2006-2135

2. Corban GJ, Hadjikakou SK, Hadjiliadis N, Kubicki M, Tiekink ERT, Butler IS, Drougas E, Kosmas AM (2005) Synthesis, structural characterization, and computational studies of novel diiodine adducts with the heterocyclic thioamides N-methylbenzothiazole-2-thione and benzimidazole-2-thione: implications with the mechanism of action of antithyroid drugs. Inorg Chem 44(23):8617–8627. doi: 10.1021/Ic0484396

3. Corban GJ, Hadjikakou SK, Tsipis AC, Kubicki M, Bakas T, Hadjiliadis N (2011) Inhibition of peroxidase-catalyzed iodination by thioamides: experimental and theoretical study of the antithyroid activity of thioamides. New J Chem 35(1):213–224. doi: 10.1039/C0nj00626b

4. Cooper DS (2005) Drug therapy: antithyroid drugs. N Engl J Med 352(9):905–917. doi: 10.1056/Nejmra042972

5. Crescioli C, Cosmi L, Borgogni E, Santarlasci V, Gelmini S, Sottili M, Sarchielli E, Mazzinghi B, Francalanci M, Pezzatini A, Perigli G, Vannelli GB, Annunziato F, Serio M (2007) Methimazole inhibits CXC chemokine ligand 10 secretion in human thyrocytes. J Endocrinol 195(1):145–155. doi: 10.1677/Joe-07-0240

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1. Sterically crowded thioamides: deviations from planarity as determined by X-ray structure analyses and quantum chemical calculations;Structural Chemistry;2023-05-25

2. Spectroscopic and DFT studies of the charge transfer complexation of iodine with aniline and its derivatives in carbon tetrachloride medium;Journal of Molecular Liquids;2022-04

3. Charge Transfer Complexes Formed by Heterocyclic Thioamides and Tetracyanoethylene: Experimental and Theoretical Study;The Journal of Physical Chemistry A;2017-09-12

4. Atomic Resolution Insights into the Structural Aggregations and Optical Properties of Neat Imidazolium-Based Ionic Liquids;The Journal of Physical Chemistry B;2016-06-24

5. Theoretical study of charge transfer complexes between antithyroid thioamides and TCNE: Thermodynamics of the complex formation;Computational and Theoretical Chemistry;2015-01

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