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Turkish Computational and Theoretical Chemistry
Vol: 6 Issue: 1
A Developed QSPR Model for the Melting Points of Isatin Derivatives
Rabah Khalil
,
Shayma'a H. Abdulrahman
Publication date :
2022-06-15
Investigation of salicylidene acylhydrazides derivatives: Molecular Docking, ADMET, and Molecular Dynamic Simulations were used in conjunction towards the design of new Yersinia pseudotuberculosis inhibitors
Emmanuel Edache
,
Adamu Uzairu
,
Paul Andrew Mamza
,
Gideon Adamu Shallangwa
Publication date :
2022-06-15
Theoretical analysis of ADP molecule in gas phase and aqueous solution: a DFT and PCM/TD-DFT study
Yavuz Ekincioğlu
Publication date :
2022-06-15
Density functional analysis of conducting molecules: A Theoretical Investigation via QTAIM approach
Jayalakshmi Palaniappan
,
Jothi Balakrishnan
,
Selvaraju Karuppannan
,
Arputharaj David Stephen
Publication date :
2022-06-15
Computational investigation of the synthesized new indoline-2,3-dione and their derivatives
Abolfazl Shiroudi
Publication date :
2022-06-15
