Computational insight into the separation of some acidic and neutral industrial gases using a cost effective MOF

TUNALI ÖMER FARUK,GECE ENDER GÖKHAN , Yayın Yeri: JOURNAL OF SOLID STATE CHEMISTRY , 2026

UluslararasıHakemliSCI-ExpandedÖzgün Makalehttps://www.sciencedirect.com/science/article/pii/S0022459626001490

Multiscale assessment of hydrogen uptake in zeolites: GCMC screening, molecular dynamics and DFT-level binding-site insights

TUNALI ÖMER FARUK,YÜKSEL NUMAN,KÖSE AHMET,FELLAH MEHMET FERDİ , Yayın Yeri: International Journal of Hydrogen Energy , 2026

UluslararasıHakemliSCI-ExpandedÖzgün Makalehttps://doi.org/10.1016/j.ijhydene.2026.155076

Synthesis, Structural Characterization, and Computational Investigation by GCMC and DFT of a Cyanide-Bridged 3D Coordination Polymer: [Cd(im)2Cd2(im)6Fe2(μ-CN)10(CN)2]n

KARAAĞAÇ DURSUN,KÜRKÇÜOĞLU GÜNEŞ SÜHEYLA,TUNALI ÖMER FARUK,ŞEN YÜKSEL BETÜL,AYGÜN MUHİTTİN , Yayın Yeri: Journal of Solid State Chemistry , 2026

UluslararasıHakemliSCI-ExpandedÖzgün Makalehttps://doi.org/10.1016/j.jssc.2026.126049

Computational insights from GCMC, MD and DFT simulations of propane separation in Mg-based MOFs: Binary selectivity toward methane, ethane, and nitrogen

TUNALI ÖMER FARUK,KÖSE AHMET,YÜKSEL NUMAN,ÖZBEK MURAT OLUŞ,FELLAH MEHMET FERDİ , Yayın Yeri: Computational and Theoretical Chemistry , 2025

UluslararasıHakemliSCI-ExpandedÖzgün Makalehttps://www.sciencedirect.com/science/article/pii/S2210271X25005134

A DFT study of H2S adsorption and sensing on Ti, V, Cr and Sc doped graphene surfaces

TUNALI ÖMER FARUK, GECE ENDER GÖKHAN, YÜKSEL NUMAN, FELLAH MEHMET FERDİ , Yayın Yeri: Structural Chemistry , 2024

UluslararasıHakemliSCI-ExpandedÖzgün Makalehttp://dx.doi.org/10.1007/s11224-023-02265-2