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Turkish Computational and Theoretical Chemistry
Vol: 2 Issue: 2
Detemination of The Best Method (HF, MP2 and B3LYP) in Calculation of Chemical Hardness
Zinet Zaim
,
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 Özdemir
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 Kacimi
,
Lahcen Bejjit
,
Mohammed Nassiri Bennani
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 Rajalingam
,
Viswanathan Balasubramanian
Publication date :
2018-12-15
Theoretical studies of structural, optic and electronic properties of polypyrrole (PPy) oligomer
Aslı Kaya
Publication date :
2018-12-15
