Browsing by Author "Mayda, Selma"

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Electronic correlations in metalloproteins: A quantum monte carlo study

Mayda, Selma (Izmir Institute of Technology, 2013)

Metalloproteins are proteins that contain a metal atom. Some metalloproteins include a transition metal such as vitamin B12 (Co) and hemoglobin (Fe) and these structures show semiconducting properties. In this thesis, as ...
Electronic structure and correlations of vitamin B12 studied within the Haldane-Anderson impurity model

Kandemir, Zafer; Mayda, Selma; Bulut, Nejat (Springer, 2016-05-01)

We study the electronic structure and correlations of vitamin B12 (cyanocobalamine) by using theframework of the multi-orbital single-impurity Haldane-Anderson model of atransition-metal impurity in a semiconductor host. ...
Electronic structure of cyanocobalamin: DFT+QMC study

Mayda, Selma; Kandemir, Zafer; Bulut, Nejat (Springer, 2017-11)

We study the electronic structure and the magnetic correlations of cyanocobalamin (C63H88CoN14O14P) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition metal impurity in a ...