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Cognitive Informatics and Soft Computing pp 755–770Cite as

In Silico Studies of Charge Transfer Complexes of 6-(Trifluoromethyl)furo[2,3-b]pyridine-2-carbohydrazides with Iodine as σ-Acceptor

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Part of the book series: Advances in Intelligent Systems and Computing ((AISC,volume 768))

Abstract

Comprehending the charge transfer process between bioactive molecules is decisive as this interface can be used to construe the bioactive molecules–receptor interactions. In view of the increasing importance of computational software and considerable progress in ab initio method development, computational software can now be used to study the charge transfer process between bioactive molecules and the acceptor molecules. Accordingly, using General Atomic and Molecular Electronic Structure System (GAMESS) computations charge transfer (CT) complexation between 6-(trifluoromethyl)furo[2,3-b]pyridine-2-carbohydrazides (FP2C) and sigma acceptor iodine (I2) has been studied.

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Author information

Authors and Affiliations

  1. Department of Chemistry, Vignana Bharathi Institute of Engineering and Technology, Hyderabad, 501301, Telangana, India

    Shirish Kumar Kodadi

  2. Department of Chemistry, Osmania University, Hyderabad, 500007, Telangana, India

    Parthasarathy Tigulla

Authors
  1. Shirish Kumar Kodadi
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  2. Parthasarathy Tigulla
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Corresponding author

Correspondence to Shirish Kumar Kodadi .

Editor information

Editors and Affiliations

  1. Department of Computer Science and Engineering, Vignana Bharathi Institute of Technology, Hyderabad, Telangana, India

    Pradeep Kumar Mallick

  2. Faculty of Engineering, Aurel Vlaicu University of Arad, Arad, Romania

    Valentina Emilia Balas

  3. Department of Electrical and Electronics Engineering, Sikkim Manipal Institute of Technology, Sikkim Manipal University, Rangpo, India

    Akash Kumar Bhoi

  4. Department of Electronic and Computer Engineering, Brunel University London, Uxbridge, Middlesex, United Kingdom

    Ahmed F. Zobaa

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Kodadi, S.K., Tigulla, P. (2019). In Silico Studies of Charge Transfer Complexes of 6-(Trifluoromethyl)furo[2,3-b]pyridine-2-carbohydrazides with Iodine as σ-Acceptor. In: Mallick, P., Balas, V., Bhoi, A., Zobaa, A. (eds) Cognitive Informatics and Soft Computing. Advances in Intelligent Systems and Computing, vol 768. Springer, Singapore. https://doi.org/10.1007/978-981-13-0617-4_71

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