IAD Index of Academic Documents
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  • Turkish Computational and Theoretical Chemistry
  • Volume:2 Issue:2

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

Zinet ZAİM, Tuba ALAGÖZ SAYIN, Koray SAYIN, Duran KARAKAŞ
Publication date : 2018-12-15

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

Gülay GÜNDAY KONAN, Leyla ÖZDEMİR
Publication date : 2018-12-15

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

Saida KHAMOULI, Salah BELAIDI, Houmam BELAIDI, Lotfi BELKHIRI
Publication date : 2018-12-15

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

Mohammed BOUACHRINE, Tayeb ABRAM, Rachid KACİMİ, Lahcen BEJJİT, Mohammed NASSİRİ BENNANİ
Publication date : 2018-12-15

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

Tamilmani SELVARAJ, Renganathan RAJALİNGAM, Viswanathan BALASUBRAMANİAN
Publication date : 2018-12-15

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

Aslı KAYA
Publication date : 2018-12-15

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