Structural benchmarking, density functional theory simulation, spectroscopic investigation and molecular docking of N-(1H-pyrrol-2-yl) methylene)-4-methylaniline as castration-resistant prostate cancer chemotherapeutic agent
Asogwa, Fredrick C., Agwamba, Ernest C., Louis, Hitler, Muozie, Maryjane C., Benjamin, Innocent, Gber, Terkumbur E., Mathias, Gideon E., Adeyinka, Adedapo S., Ikeuba, Alexander I.
Published in Chemical physics impact (01.12.2022)
Published in Chemical physics impact (01.12.2022)
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Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment
Agwamba, Ernest C., Udoikono, Akaninyene D., Louis, Hitler, Udoh, Esther U., Benjamin, Innocent, Igbalagh, Azuaga T., Edet, Henry O., Ejiofor, Emmanuel U., Ushaka, Ugi B.
Published in Chemical physics impact (01.06.2022)
Published in Chemical physics impact (01.06.2022)
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Journal Article
Hydrogen storage capacity of C12X12 (X = N, P, and Si)
Edet, Henry O., Louis, Hitler, Benjamin, Innocent, Gideon, Mathias, Unimuke, Tomsmith O., Adalikwu, Stephen A., Nwagu, Adanna D., Adeyinka, Adedapo S.
Published in Chemical physics impact (01.12.2022)
Published in Chemical physics impact (01.12.2022)
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Computational investigation of solvent interaction (TD-DFT, MEP, HOMO-LUMO), wavefunction studies and molecular docking studies of 3-(1-(3-(5-((1-methylpiperidin-4-yl)methoxy)pyrimidin-2-yl)benzyl)-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile
Kanchana, S., Kaviya, T., Rajkumar, P., Kumar, M.Dhinesh, Elangovan, N., Sowrirajan, S.
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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Structural (monomer and dimer), spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and solvent effect (polar and nonpolar) studies of 2‑methoxy-4-vinyl phenol
Rajkumar, P., Selvaraj, S., Anthoniammal, P., Ram Kumar, A., Kasthuri, K., Kumaresan, S.
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents
Agwupuye, John A., Louis, Hitlier, Gber, Terkumbur E., Ahmad, Iqrar, Agwamba, Ernest C., Samuel, Asuquo Blessing, Ejiako, Ejike J., Patel, Harun, Ita, Imabasi T., Bassey, Victoria M.
Published in Chemical physics impact (01.12.2022)
Published in Chemical physics impact (01.12.2022)
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Adsorption and gas-sensing investigation of oil dissolved gases onto nitrogen and sulfur doped graphene quantum dots
Inah, Bassey E., Eze, John F., Louis, Hitler, Edet, Henry O., Gber, Terkumbur E., Eno, Ededet A., Etim, Alice N., Adeyinka, Adedapo S.
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone
Eno, Ededet A., Patrick-Inezi, Faith A., Louis, Hitler, Gber, Terkumbur E., Unimuke, Tomsmith O., Agwamba, Ernest C., Ikenyirimba, Onyinye Joy, Akpanke, Josephat A., Oyoita, Emmanuella, Ejiofor, Emmanuel U., Adalikwu, Stephen Adie
Published in Chemical physics impact (01.12.2022)
Published in Chemical physics impact (01.12.2022)
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Studies on the adsorption of Pb(II) from aqueous solutions using sugarcane bagasse-based modified activated carbon with nitric acid: Kinetic, isotherm and desorption
Somyanonthanakun, Wuttichai, Ahmed, Ramzan, Krongtong, Viyaporn, Thongmee, Sirikanjana
Published in Chemical physics impact (01.06.2023)
Published in Chemical physics impact (01.06.2023)
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Structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), effect of polar (DMSO, EtOH, H2O) solvation, and libido-enhancing potential of resveratrol by molecular docking
Adindu, Eze A., Godfrey, Obinna C., Agwupuye, Eyuwa I., Ekpong, Bassey O., Agurokpon, Daniel C., Ogbodo, Sopuruchukwu E., Benjamin, Innocent, Louis, Hitler
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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A review on Bi2O3 nanomaterial for photocatalytic and antibacterial applications
Mane, Vijay, Dake, Dnyaneshwar, Raskar, Nita, Sonpir, Ramprasad, Stathatos, Elias, Dole, Babasaheb
Published in Chemical physics impact (01.06.2024)
Published in Chemical physics impact (01.06.2024)
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Molecular structure, characterization, in vitro and in-silico studies of N,N-dimethyl aminophenyl schiff's base-chalcone hybrid
Nithyabalaji, Rajendran, Ramya, Rajan M.P., Kavitha, Rengarajan, Radhakrishnan, Kothalam, Vinoth Kumar, Jothi, Al-Asbahi, Bandar Ali, Dhananjaya, Merum, Joo, Sang Woo
Published in Chemical physics impact (01.06.2024)
Published in Chemical physics impact (01.06.2024)
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Synthetic dimethoxyxanthones bind similarly to human serum albumin compared with highly oxygenated xanthones
Chaves, Otávio Augusto, dos Santos Oliveira, Cosme H.C., Ferreira, Romulo Correia, Cesarin-Sobrinho, Dari, Machado, Antonio Eduardo da Hora, Netto-Ferreira, José Carlos
Published in Chemical physics impact (01.06.2024)
Published in Chemical physics impact (01.06.2024)
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Optimizing drug discovery: Surface plasmon resonance techniques and their multifaceted applications
Acharya, Biswajeet, Behera, Amulyaratna, Behera, Suchismeeta
Published in Chemical physics impact (01.06.2024)
Published in Chemical physics impact (01.06.2024)
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Nanocatalyst in remediating environmental pollutants
Ningthoujam, Rina, Singh, Yengkhom Disco, Babu, Punuri Jayasekhar, Tirkey, Akriti, Pradhan, Srimay, Sarma, Mrinal
Published in Chemical physics impact (01.06.2022)
Published in Chemical physics impact (01.06.2022)
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A combined DFT, Monte Carlo, and MD simulations of adsorption study of heavy metals on the carbon graphite (111) surface
Khnifira, M., Boumya, W., Attarki, J., Mahsoune, A., Sadiq, M., Abdennouri, M., Kaya, S., Barka, N.
Published in Chemical physics impact (01.12.2022)
Published in Chemical physics impact (01.12.2022)
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