Geradius Deogratias

Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation

Geradius Deogratias, Nicola Seriani, Tatiana Pogrebnaya et al. · Journal of Molecular Graphics and Modelling · 2019 · 47 citations

Organic Charge-transfer Compound, Chemical Engineering, Engineering +10

Effects of heteroatoms in π-conjugated linkers on the optical and electronic properties of modified triphenylamine based dyes: towards DSSCs’ applications

Geradius Deogratias, Ohoud S. Al−Qurashi, Nuha Wazzan et al. · Journal of Molecular Modeling · 2020 · 45 citations

Organic Charge-transfer Compound, Chemical Engineering, Optical Materials +12

Novel Xanthate Complexes for the Size-Controlled Synthesis of Copper Sulfide Nanorods

Mundher Al-Shakban, Peter D. Matthews, Geradius Deogratias et al. · Inorganic Chemistry · 2017 · 44 citations · Full text

Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics

Daniel M. Shadrack, Geradius Deogratias, Lucy W. Kiruri et al. · Journal of Molecular Modeling · 2021 · 35 citations · Full text

Influence of heteroatoms on the optoelectronic properties of triphenylamine-based dyes for DSSCs application: A computational approach

Peter Kirenga, Stelyus L. Mkoma, Sixberth Mlowe et al. · Computational and Theoretical Chemistry · 2022 · 30 citations

Organic Charge-transfer Compound, Chemical Engineering, Engineering +12