Detemination of The Best Method (HF, MP2 and B3LYP) in Calculation of Chemical Hardness-Reference-Cited by-同舟云学术

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

Published:2018-12-15 Issue:2 Volume:2 Page:7-15
ISSN:2587-1722
Container-title:Turkish Computational and Theoretical Chemistry
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Author:

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

Publisher

Turkish Computational and Theoretical Chemistry

Subject

Materials Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry, Genetics and Molecular Biology (miscellaneous),Molecular Medicine,Biochemistry

Reference25 articles.

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5. [5] Sadegh Kaviani, Mohammad Izadyar, Mohammad Reza Housaindokht Kaviani, A DFT study on the complex formation between desferrithiocin and metal ions (Mg2+, Al3+, Ca2+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+), Computational Biology and Chemistry 67 (2017) 114–121.

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