Journals / Turkish Computational and Theoretical Chemistry
Turkish Computational and Theoretical Chemistry
Turkish Computational and Theoretical Chemistry
Turkish Computational and Theoretical Chemistry will publish three issues a year as of 2023 (in January, May and September). Please send your CV to [email protected] to become a referee and editor in our journal Please click to see the forthcoming issue.
2022 · Cilt: 6 - Sayı: 1
| Article | Author | Pages |
|---|---|---|
| A Developed QSPR Model for the Melting Points of Isatin Derivatives | Rabah KHALİL, Shayma'a H. ABDULRAHMAN | 1–8 |
| 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 | 9–30 |
| Theoretical analysis of ADP molecule in gas phase and aqueous solution: a DFT and PCM/TD-DFT study | Yavuz EKİNCİOĞLU | 31–41 |
| Density functional analysis of conducting molecules: A Theoretical Investigation via QTAIM approach | Jayalakshmi PALANİAPPAN, Jothi BALAKRİSHNAN, Selvaraju KARUPPANNAN, Arputharaj DAVİD STEPHEN | 42–51 |
| Computational investigation of the synthesized new indoline-2,3-dione and their derivatives | Abolfazl SHİROUDİ | 52–65 |