Publikasi

PUBLIKASI ILMIAH

  1. Prasetyo, N., Canaval, L.R., Wijaya, K., Armunanto, R., 2015, Lithium (I) in Liquid Ammonia : A Quantum Mechanical Charge Field (QMCF) Molecular Dynamics Simulation Study., Chem. Phys. Lett., 619, 158–162.
  2. Prasetyo, N., Armunanto, R, 2016, Revisiting Structure and Dynamics of Ag(I) in 18% Aqueous Ammonia : Quantum Mechanical Charge Field (QMCF) Molecular Dynamics Simulation Study., Chem Phys Lett., 652, 243–248.
  3. Fitriani, N. I., Utami, W., Prasetyo, N., Armunanto, R., 2016, Comprehensive Study on the Solvation of Sr(II) Ion, MATEC Web of Conferences 62:04001 · January 2016
  4. Hadisaputra, S., Prasetyo, N., 2016, The Explosive Sensitivity on the Complex Formation of 3-Nitro-1,2,4-Triazol-5-One and Metal Ions Based on Density Functional Study., Makara Journal of Science, 20, 2, 81-87.
  5. Prasetyo, N., Utami, W., Armunanto, R., Hofer, T., 2017, Exploring structure and dynamics of solvated Ca(II) in liquid ammonia: A quantum mechanical charge field (QMCF) molecular dynamics simulation, J.Mol. Liq., 242, 286-292.
  6. Prasetyo, N., Hünenberger, H, Phillipe, Hofer, S. T., 2018, Single-ion Thermodynamics from First Principles Absolute Redox Potentials, Ionic Hydration Free Energies and Water Surface Potentials from Ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics of Aqueous Li+ (in preparation)
  7. Prasetyo, N., Hofer, S. T., 2018, Absolute Hydration Gibbs Free Energy of Carbon
    Dioxide in aqueous environment: A Quantum Mechanical/Molecular Mechanics Molecular Dynamics Thermodynamic Integration (QM/MM
    MD TI) Simulation Study (in preparation)
  8. Prasetyo, N., Hofer, S. T., 2018, Adsorption and Dissociation of Water Molecules at (0001) Alumina Surface: A 2-Dimensional Hybrid Self-Consistent Charge Density Functional Based Tight-Binding (SCC-DFTB)/Molecular Mechanics
    Molecular Dynamics Simulation Study (in preparation)

POSTER

Niko Prasetyo, Andreas O. Tirler, Thomas S. Hofer, 2015, Hybrid QM/MM Molecular Dynamics Simulation of Alumina – Water Interfaces : Peringatan Kerja Sama UGM – Univ. of Graz – TU Wien – Univ. of Innsbruck, Yogyakarta, 28 Oktober 2015.

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