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  • Turkish Computational and Theoretical Chemistry
  • Volume:6 Issue:1

A Developed QSPR Model for the Melting Points of Isatin Derivatives

Rabah KHALİL, 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 UZAİRU, 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 EKİNCİOĞLU
Publication date : 2022-06-15

Density functional analysis of conducting molecules: A Theoretical Investigation via QTAIM approach

Jayalakshmi PALANİAPPAN, Jothi BALAKRİSHNAN, Selvaraju KARUPPANNAN, Arputharaj DAVİD STEPHEN
Publication date : 2022-06-15

Computational investigation of the synthesized new indoline-2,3-dione and their derivatives

Abolfazl SHİROUDİ
Publication date : 2022-06-15

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