Tek Kristal Bileşiğin Teorik ve Deneysel Yöntemlerle İncelenmesi
Abstract
Bu çalışmada, Schiff bazı içeren C23H25N3OS bileşiği deneysel ve teorik yöntemler ile incelenmiştir. Bileşiğin bazı geometrik parametreleri katı fazında yoğunluk fonksiyonel teorisi (DFT) metodu kullanılarak, peryodik sınır şartları (PBC) altında Quantum-Espresso paket programı ile hesaplanmıştır. Moleküller arası etkileşimlerin daha iyi anlaşılabilmesi amacıyla da bileşiklerin, moleküler elektrostatik potansiyelleri (MEP) gaussian 09 programı ile DFT/B3LYP/6-31G(d) baz seti kullanılarak elde edilmiştir. Son olarak da, Hirshfeld yüzey analizi ile katı fazında moleküller arası etkileşimler incelenmiştir.
Keywords
References
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Details
Primary Language
Turkish
Subjects
-
Journal Section
Research Article
Publication Date
June 30, 2019
Submission Date
May 6, 2019
Acceptance Date
June 14, 2019
Published in Issue
Year 2019 Volume: 1 Number: 1
APA
Doracan, B., & Karakurt, T. (2019). Tek Kristal Bileşiğin Teorik ve Deneysel Yöntemlerle İncelenmesi. Şırnak Üniversitesi Fen Bilimleri Dergisi, 1(1), 59-76. https://izlik.org/JA48TK69AM
AMA
1.Doracan B, Karakurt T. Tek Kristal Bileşiğin Teorik ve Deneysel Yöntemlerle İncelenmesi. Şırnak Üniversitesi Fen Bilimleri Dergisi. 2019;1(1):59-76. https://izlik.org/JA48TK69AM
Chicago
Doracan, Bedrettin, and Tuncay Karakurt. 2019. “Tek Kristal Bileşiğin Teorik Ve Deneysel Yöntemlerle İncelenmesi”. Şırnak Üniversitesi Fen Bilimleri Dergisi 1 (1): 59-76. https://izlik.org/JA48TK69AM.
EndNote
Doracan B, Karakurt T (June 1, 2019) Tek Kristal Bileşiğin Teorik ve Deneysel Yöntemlerle İncelenmesi. Şırnak Üniversitesi Fen Bilimleri Dergisi 1 1 59–76.
IEEE
[1]B. Doracan and T. Karakurt, “Tek Kristal Bileşiğin Teorik ve Deneysel Yöntemlerle İncelenmesi”, Şırnak Üniversitesi Fen Bilimleri Dergisi, vol. 1, no. 1, pp. 59–76, June 2019, [Online]. Available: https://izlik.org/JA48TK69AM
ISNAD
Doracan, Bedrettin - Karakurt, Tuncay. “Tek Kristal Bileşiğin Teorik Ve Deneysel Yöntemlerle İncelenmesi”. Şırnak Üniversitesi Fen Bilimleri Dergisi 1/1 (June 1, 2019): 59-76. https://izlik.org/JA48TK69AM.
JAMA
1.Doracan B, Karakurt T. Tek Kristal Bileşiğin Teorik ve Deneysel Yöntemlerle İncelenmesi. Şırnak Üniversitesi Fen Bilimleri Dergisi. 2019;1:59–76.
MLA
Doracan, Bedrettin, and Tuncay Karakurt. “Tek Kristal Bileşiğin Teorik Ve Deneysel Yöntemlerle İncelenmesi”. Şırnak Üniversitesi Fen Bilimleri Dergisi, vol. 1, no. 1, June 2019, pp. 59-76, https://izlik.org/JA48TK69AM.
Vancouver
1.Bedrettin Doracan, Tuncay Karakurt. Tek Kristal Bileşiğin Teorik ve Deneysel Yöntemlerle İncelenmesi. Şırnak Üniversitesi Fen Bilimleri Dergisi [Internet]. 2019 Jun. 1;1(1):59-76. Available from: https://izlik.org/JA48TK69AM