Nazarov Sayfulla Ibodulloyevich

A Density Functional Theory Study of Na-PAC/PATS-Modified Shofirkon Bentonite as a Composite Sorbent for Heavy-metal Cations and Organic Pollutants

Razzaqov Hasan Qalandarovich, Amonov Mukhtor Rakhmatovich, Nazarov Sayfulla Ibodulloyevich & Sharipov Muzafar Samandarovich · Chemical Science International Journal · 2026

Aims: To build a finite cluster model of the active fragment of Na-PAC/PATS-modified Shofirkon bentonite (MSB) and to use density functional theory (DFT) to compute the electronic, reactivity and thermodynamic descriptors that govern its adsorption and to correlate these descript...