Hitler, Louis

Top Publications

Top Publications Authored or Co-Authored by "Hitler, Louis"

• Understanding the lithiation mechanisms of pyrenetetrone-based carbonyl compound as cathode material for lithium-ion battery: Insight from first principle density functional theory

  Materials Chemistry and Physics, Volume 278, Article 125518, Year 2022, Citations 85
• 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

  Chemical Physics Impact, Volume 5, Article 100091, Year 2022, Citations 78
• Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies

  Journal of Molecular Structure, Volume 1264, Article 133298, Year 2022, Citations 75
• Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM

  Journal of Ionic Liquids, Volume 2, No. 1, Article 100030, Year 2022, Citations 72
• Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)

  ACS Omega, Volume 7, No. 39, Year 2022, Citations 67