Turkish Computational and Theoretical Chemistry » Volume: 3 Issue: 1

Research Article

Research Article

1. A theoretical investigation of TNT in different phases by using DFT

Page : 1-4

Research Article

2. Density Functional Theory and Single Crystal X-ray Studies on Some Bis-Chalcone Derivatives

Gül Yakalı , Abdullah Biçer , Duygu Barut , Günseli Turgut Cin

Page : 5-16

Research Article

3. Molecular docking study for evaluating the binding mode and interaction of 2, 4-disubstituted quiloline and its derivatives as potent anti-tubercular agents against Lipoate protein B (LipB)

Shola Elıjah , Sani Uba , Adamu Uzaıru

Page : 17-24

Research Article

4. The amidine formed by tacrine and saccharin revisited: An ab initio Investigation of Structural, Electronic and Spectroscopic Properties

Page : 25-37

Research Article

5. MULTIVARIANT QSAR MODEL FOR SOME POTENT COMPOUNDS AS POTENTIAL ANTI-TUMOR INHIBITORS: A COMPUTATIONAL APPROACH

Shola Elıjah , Sani Uba , Adamu Uzaıru

Page : 38-46

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Journal Full Title: Turkish Computational and Theoretical Chemistry

Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)