Journal of Physical Chemistry and Functional Materials
INVESTIGATION OF ELECTRONIC PROPERTIES OF POLY(DEAMST0.70-CO-BMA) COPOLYMER: AB-INITIO APPROACH
Yazarlar: Seda HEKİM, Aslisah ACIKSES
Cilt 2 , Sayı 1 , 2019 , Sayfalar 26 - 28
Konular:Fizik, Uygulamalı
Anahtar Kelimeler:Hartree-Fock (HF) theory,HOMO and LOMO energies
Özet: The theoretical molecular structure of Poly (DEAMSt0.70-co-BMA) copolymer molecule was performed by using the Gaussian 09 program. For the theoretical calculations, the Hartree-Fock (HF) theory with 6-31G (6D, 7F) basic set was used. In addition, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energies, the electronic properties (total energy, electronegativity, chemical hardness and softness) were investigated.
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BibTex
KOPYALA
@article{2019, title={INVESTIGATION OF ELECTRONIC PROPERTIES OF POLY(DEAMST0.70-CO-BMA) COPOLYMER: AB-INITIO APPROACH}, volume={2}, number={26–28}, publisher={Journal of Physical Chemistry and Functional Materials}, author={Seda HEKİM,Aslisah ACIKSES}, year={2019} }
APA
KOPYALA
Seda HEKİM,Aslisah ACIKSES. (2019). INVESTIGATION OF ELECTRONIC PROPERTIES OF POLY(DEAMST0.70-CO-BMA) COPOLYMER: AB-INITIO APPROACH (Vol. 2). Vol. 2. Journal of Physical Chemistry and Functional Materials.
MLA
KOPYALA
Seda HEKİM,Aslisah ACIKSES. INVESTIGATION OF ELECTRONIC PROPERTIES OF POLY(DEAMST0.70-CO-BMA) COPOLYMER: AB-INITIO APPROACH. no. 26–28, Journal of Physical Chemistry and Functional Materials, 2019.