STRUCTURAL and ELECTRONIC PROPERTIES of NBPT INHIBITOR ATTACHED to UREASE

STRUCTURAL and ELECTRONIC PROPERTIES of NBPT INHIBITOR ATTACHED to UREASE

In this study, the structural and electronic properties of the N-(n-Butyl) Thiophosphoric Triamide (NBPT) inhibitor, in the form of monoamidothiophosphoric acid (MATP), as attached to urease enzyme, has been investigated. These include the electron density, molecular orbitals involved in the interac...

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Bibliographic Details
Main Authors: Al-Saggoff S.Z.S.I (Author), Azman, M.H.D (Author), Ghani, Z.A (Author), Jamlos J. (Author), Mustafa W.A.W (Author), Sin, A.L (Author), Yaakob, M.H (Author), Zuber, S.Z.H.S (Author)
Format: Article
Language:English
Published: IOP Publishing Ltd 2021
Subjects:
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Computation theory
Electronic properties
Electrostatic potential maps
Graphical representations
Interaction energies
Metabolism
Molecular orbitals
Quantum theory
Quantum-mechanical calculation
Soil moisture
Soil solutions
Structural and electronic properties
Urea
Urease enzymes
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