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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