Anthony M.S. Pembere

Synthesis, characterization, and theoretical studies of the photovoltaic properties of novel reactive azonitrobenzaldehyde derivatives

Hitler Louis, Izubundu B. Onyebuenyi, Joseph O. Odey et al. · RSC Advances · 2021 · 53 citations · Full text

Role of pore chemistry and topology in the heavy metal sorption by zeolites: From molecular simulation to machine learning

Fred Sifuna Wanyonyi, Timothy Tizhe Fidelis, Gershom Kyalo Mutua et al. · Computational Materials Science · 2021 · 33 citations

Materials Science, Molecular Sieve, Pore Structure +10

Elucidation of collagen amino acid interactions with metals (B, Ni) encapsulated graphene/PEDOT material: Insight from DFT calculations and MD simulation

Rawlings A. Timothy, Hitler Louis, Eze A. Adindu et al. · Journal of Molecular Liquids · 2023 · 31 citations

Materials Science, Graphene Nanomeshes, Graphene-based Nano-antennas +12

Towards estimation and mechanism of CO2 adsorption on zeolite adsorbents using molecular simulations and machine learning

Felix Okello, Timothy Tizhe Fidelis, John Onyango Agumba et al. · Materials Today Communications · 2023 · 25 citations

Molecular Sieve, Chemical Engineering, Molecular Dynamics +11

A hexagonal Ni₆ cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde

Anthony M.S. Pembere, Chaonan Cui, Rajini Anumula et al. · Physical Chemistry Chemical Physics · 2019 · 24 citations