Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule

Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule

The molecular structure of 4-(2-(4-bromophenyl)hydrazineylidene)-3,5-diphenyl-4h-pyrazole (BHDH) molecule, which is a pyrazole derivative, was investigated theoretically using the Gaussian 09 program according to the Moller-Plesset (MP2) method. The MP2 method was optimized for these theoretical cal...

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Bibliographic Details
Main Authors: Ümit Yıldıko, Veysel Tahiroğlu, Mehmet Bağlan, Kenan Gören
Format: Article
Language:English
Published: Çanakkale Onsekiz Mart University 2024-12-01
Series:Journal of Advanced Research in Natural and Applied Sciences
Subjects:
ache
bche
molecular docking
adme
nbo
Online Access:https://dergipark.org.tr/en/download/article-file/4070473
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