Turkish Computational and Theoretical Chemistry » Volume: 2 Issue: 2

Research Article

Research Article

1. Radiative transition probabilities for 3p63d2 and 3p53d3 transitions in W54+

Gülay Günday Konan , Leyla Özdemir

Page : 1-6

Research Article

2. Detemination of The Best Method (HF, MP2 and B3LYP) in Calculation of Chemical Hardness

Zinet Zaim , Tuba Alagöz Sayın , Koray Sayın , Duran Karakaş

Page : 7-15

Research Article

3. QSAR Studies of amino-pyrimidine derivatives as Mycobacterium tuberculosis Protein Kinase B inhibitors

Saida Khamoulı , Salah Belaıdı , Houmam Belaıdı , Lotfi Belkhırı

Page : 16-27

Research Article

4. Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study

Tamilmani Selvaraj , Renganathan Rajalingam , Viswanathan Balasubramanian

Page : 28-35

Research Article

5. New Organic Materials Based on Thiophene for Photovoltaic Device: Theoretical investigation

Mohammed Bouachrıne , Tayeb Abram , Rachid Kacimi , Lahcen Bejjit , Mohammed Nassiri Bennani

Page : 36-48

Research Article

6. Theoretical studies of structural, optic and electronic properties of polypyrrole (PPy) oligomer

Page : 49-56

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Journal Full Title: Turkish Computational and Theoretical Chemistry

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