Showing 161 - 180 results of 65,398 for search '(( 10 nm decrease ) OR ( 5 ((nn decrease) OR (((teer decrease) OR (a decrease)))) ))', query time: 0.83s Refine Results
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    Extended Ensemble Molecular Dynamics Study of Ammonia–Cellulose I Complex Crystal Models: Free-Energy Landscape and Atomistic Pictures of Ammonia Diffusion in the Crystalline Phase... by Toshifumi Yui (1768846)

    Published 2023
    “…Introducing hybrid quantum mechanical and molecular mechanics theory to the adaptive steered molecular dynamics simulation effectively lowered the heights of the PMF peaks to approximately 5 kcal/mol, accompanied by a slight decrease in the baseline. …”
  5. 165

    Extended Ensemble Molecular Dynamics Study of Ammonia–Cellulose I Complex Crystal Models: Free-Energy Landscape and Atomistic Pictures of Ammonia Diffusion in the Crystalline Phase... by Toshifumi Yui (1768846)

    Published 2023
    “…Introducing hybrid quantum mechanical and molecular mechanics theory to the adaptive steered molecular dynamics simulation effectively lowered the heights of the PMF peaks to approximately 5 kcal/mol, accompanied by a slight decrease in the baseline. …”
  6. 166

    Extended Ensemble Molecular Dynamics Study of Ammonia–Cellulose I Complex Crystal Models: Free-Energy Landscape and Atomistic Pictures of Ammonia Diffusion in the Crystalline Phase... by Toshifumi Yui (1768846)

    Published 2023
    “…Introducing hybrid quantum mechanical and molecular mechanics theory to the adaptive steered molecular dynamics simulation effectively lowered the heights of the PMF peaks to approximately 5 kcal/mol, accompanied by a slight decrease in the baseline. …”
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    Photooxidation and Cleavage of Ethynylated 9,10-Dimethoxyanthracenes with Acid-Labile Ether Bonds by Manuel M. Pina (20629476)

    Published 2025
    “…Optical spectroscopy, cyclic voltammetry, and density functional theory calculations reveal that the ethynyl groups decrease the HOMO–LUMO gaps in these acenes. Notably, bis(dimethylanilineethynyl) substituents increase the wavelength of absorbance onset by over 60 nm compared to 9,10-dimethoxyanthracene (DMA). …”
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