A Comprehensive Study on Charge Transfer Complexes of Amino Acids: Experimental and Computational Studies of Charge Transfer Complexes of Amino Acids - Softcover

Kodadi, Shirish Kumar

 
9786203922875: A Comprehensive Study on Charge Transfer Complexes of Amino Acids: Experimental and Computational Studies of Charge Transfer Complexes of Amino Acids
Softcover
ISBN 10: 6203922870 ISBN 13: 9786203922875
Verlag: LAP LAMBERT Academic Publishing, 2021

Inhaltsangabe

It is important to realize the charge transfer process between biologically active molecules and inorganic or organic molecules because this collaboration can be used to elucidate biologically active molecule-receptor interactions. A broad spectrophotometric study was performed to describe the chemical process of amino acid complexation. The molecular structure, spectral properties, and interaction modes are derived from ultraviolet-visible light and infrared spectroscopy. Spectral parameters such as association constant (K), extinction coefficient (εmax), ionization potential (IP), the energy of the charge transfer complex (ECT), resonance energy (RN), dissociation energy (W), and standard Gibbs energy ( G0) have been calculated. A computational study has been carried out using advanced software to know the structural features. The calculation of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) helps us characterize the chemical reactivity and dynamic stability of molecules. A good agreement was found between the experimental and computed results.

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Über die Autorin bzw. den Autor

O Dr. K. Shirish Kumar está trabalhando como Professor Associado de Química no Instituto de Tecnologia Vignana Bharathi, Hyderabad, Índia. Ele recebeu o "Prêmio Jovem Pesquisador", o Prêmio de Melhor Professor Universitário e o "Prêmio Internacional de Pesquisador Destacado", é Ph.D. em Química pela Universidade de Osmania.

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Verlag
LAP LAMBERT Academic Publishing
Erscheinungsdatum
2021
Sprache
Englisch
ISBN 10 
6203922870
ISBN 13 
9786203922875
Einband
Taschenbuch
Anzahl der Seiten
64
Kontakt zum Hersteller
Nicht verfügbar
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