A Developed QSPR Model for the Melting Points of Isatin Derivatives

Rabah KHALİL, Shayma'a H. ABDULRAHMAN

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

Theoretical analysis of ADP molecule in gas phase and aqueous solution: a DFT and PCM/TD-DFT study

Yavuz EKİNCİOĞLU

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

Jayalakshmi PALANİAPPAN, Jothi BALAKRİSHNAN, Selvaraju KARUPPANNAN, Arputharaj DAVİD STEPHEN

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

Abolfazl SHİROUDİ