Niko Prasetyo
Niko Prasetyo
Email yang diverifikasi di mail.ugm.ac.id - Beranda
Judul
Dikutip oleh
Dikutip oleh
Tahun
Lithium (I) in liquid ammonia: A quantum mechanical charge field (QMCF) molecular dynamics simulation study
N Prasetyo, LR Canaval, K Wijaya, R Armunanto
Chemical Physics Letters 619, 158-162, 2015
162015
Single-ion thermodynamics from first principles. Calculation of the Absolute Hydration Free Energy and Single-Electrode Potential of Aqueous Li+ using ab initio Quantum …
N Prasetyo, PH Hünenberger, TS Hofer
J. Chem. Theory Comput, 2018
102018
Structure, dynamics, and hydration free energy of carbon dioxide in aqueous solution: a quantum mechanical/molecular mechanics molecular dynamics thermodynamic integration (QM …
N Prasetyo, TS Hofer
Journal of chemical theory and computation 14 (12), 6472-6483, 2018
92018
Exploring structure and dynamics of solvated Ca (II) in liquid ammonia: A quantum mechanical charge field (QMCF) molecular dynamics simulation
N Prasetyo, W Utami, R Armunanto, TS Hofer
Journal of Molecular Liquids 242, 286-292, 2017
82017
Revisiting structure and dynamics of Ag+ in 18.6% aqueous ammonia: An ab initio quantum mechanical charge field simulation
N Prasetyo, R Armunanto
Chemical Physics Letters 652, 243-248, 2016
82016
Quantum Chemical and Monte Carlo Simulation Studies on Inhibition Performance of Caffeine and Its Derivatives against Corrosion of Copper
S Hadisaputra, AA Purwoko, LRT Savalas, N Prasetyo, E Yuanita, ...
Coatings 10 (11), 1086, 2020
52020
Adsorption and Dissociation of Water Molecules at α-Al2O3 (0001) Surface: A 2-dimensional Hybrid Self-Consistent Charge Density Functional Based Tight-Binding /Molecular …
N Prasetyo, TS Hofer
Comput. Mater. Sci. 19, 295-204, 2019
52019
Toward hydrogen storage material in fluorinated zirconium metal-organic framework (MOF-801): A periodic density functional theory (DFT) study of fluorination and adsorption
N Prasetyo, FI Pambudi
International Journal of Hydrogen Energy 46 (5), 4222-4228, 2021
42021
The effect of electron correlation in unraveling the hydration properties of Sc3+ in aqueous solution: A rigid body quantum mechanics/molecular mechanics simulation study
N Prasetyo
Journal of Molecular Liquid, 2021
12021
Carbon dioxide in liquid ammonia: An ab initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Thermodynamic Integration (QM/MM MD TI) simulation study on structure …
N Prasetyo, TS Hofer
Journal of Molecular Liquids 304, 112667, 2020
12020
The Explosive Sensitivity on the Complex Formation of 3-Nitro-1, 2, 4-Triazol-5-One and Metal Ions Based on Density Functional Study
S Hadisaputra, N Prasetyo
Makara Journal of Science 20 (2), 5, 2016
12016
Insight into the structure of the heulandite-type zeolite containing aromatic compounds using periodic density functional theory
FI Pambudi, N Prasetyo
Materials Today Communications 26, 102028, 2021
2021
First solvation shell structure and dynamics of solvated Ca 2+ in dilute aqueous ammonia by first principle approach: a QMCF MD simulation study
N Prasetyo, AT Zikri, S Hadisaputra
Monatshefte für Chemie-Chemical Monthly 151 (10), 1493-1500, 2020
2020
Hybrid Forces Molecular Dynamics on the Lability, Dynamics and “Structure Breaking Effect” of Cs+ in Liquid Ammonia
Y Hidayat, F Rahmawati, IF Nurcahyo, N Prasetyo, HD Pranowo
Bulletin of the Chemical Society of Japan, 2020
2020
Application of Enhanced Hybrid Forces Molecular Dynamics Simulation for Single Ion Solvation and Solid-Liquid Interface
N Prasetyo
university of innsbruck, 2019
2019
Comprehensive Study on The Solvation of Sr (II) Ion
IN Fitriani, W Utami, N Prasetyo, R Armunanto
MATEC Web of Conferences 62, 04001, 2016
2016
KAJIAN STRUKTUR DAN DINAMIKA SOLVASI LITIUM (I) DALAM AMONIAK CAIR MENGGUNAKAN SIMULASI DINAMIKA MOLEKULAR QMCF (QUANTUM MECHANICAL CHARGE FIELD)
N PRASETYO
Universitas Gadjah Mada, 2015
2015
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