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Mohammad Kemal Agusta

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Mohammad Kemal Agusta

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Theoretical study on hydrazine chemisorption on transition metal surfaces
Mohammad Kemal Agusta,Hideaki Kasai
Journal of the Physical Society of Japan vol:81, issue:JPSJ.81.124705, page:1-

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Conformational effects on hydrazine and OH coadsorption on Ni(111): A first-principles investigation
Mohammad Kemal Agusta,Prasetiyo Hadi Purwoko,Adhitya Gandaryus Saputro,Fadjar Fathurrahman,Hermawan K. Dipojono,Wilson Agerico Diño
Surface Science vol:664, issue:j.susc.2017.06.013, page:1-193

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First-Principles Molecular Dynamics Study on Helium- filled Carbon Nanotube
M.K. Agusta,I. Prasetiyo,A.G. Saputro,H.K. Dipojono,R. Maezono
Journal of Physics: Conference Series vol:739, issue:012081, page:1-

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Hydrogen Adsorption on Fe-based Metal Organic Frameworks: DFT Study
Mohammad Kemal Agusta,Adhitya Gandaryus Saputro,Viny Veronika Tanuwijaya,Novianto Nur Hidayat,Hermawan Kresno Dipojono
Procedia Engineering vol:170, issue:j.proeng.2017.03.030, page:1-140

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Coadsorption of hydrazine (N2H4) and OH on NiZn surface: A DFT-based study
Mohammad Kemal Agusta,Adhitya Gandaryus Saputro,Ahmad Zainul Ihsan,Raihan Krishna,Fadjar Fathurrahman,Hermawan Kresno Dipojono,Wilson Agerico Diño
Surface Science vol:691, issue:j.susc.2019.121505, page:1-

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PWDFT.jl: A Julia package for electronic structure calculation using density functional theory and plane wave basis
Fadjar Fathurrahman,Mohammad Kemal Agusta,Adhitya Gandaryus Saputro,Hermawan Kresno Dipojono
Computer Physics Communications vol:256, issue:j.cpc.2020.107372, page:1-

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DFT + U study of H2O adsorption and dissociation on stoichiometric and nonstoichiometric CuO(1 1 1) surfaces
Faozan Ahmad,Mohammad Kemal Agusta,Hermawan Kresno Dipojono,Ryo Maezono
Journal of Physics Condensed Matter vol:32, issue:ab4b34, page:1-

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Density Functional Study on the Formation of Sulfur-doped Configuration on the Active Site of Pyrolyzed Fe/N/C Catalyst
Adhitya Gandaryus Saputro,Mohammad Kemal Agusta,Hermawan Kresno Dipojono,Apresio Kefin Fajrial
Journal of Physics: Conference Series vol:1204, issue:012119, page:1-

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Electronic and Optical Properties of CuO Based on DFT+U and GW Approximation
F. Ahmad,M.K. Agusta,H.K. Dipojono
Journal of Physics: Conference Series vol:739, issue:012040, page:1-

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DFT study of adsorption of CO2 on palladium cluster doped by transition metal
A.G. Saputro,M.K. Agusta,H.K. Dipojono,T.D.K. Wungu,None Suprijadi,F. Rusydi
Journal of Physics: Conference Series vol:739, issue:012083, page:1-

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Cr, Fe – doped anatase TiO2 photocatalyst: DFT+U investigation on band gap
Listra Yehezkiel Ginting,M. Kemal Agusta,None Nugraha,Ahmad H. Lubis,Hermawan Kresno Dipojono
Advanced Materials Research vol:893, issue:AMR.893.31, page:1-34

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First principle study of hydrazine and OH- Co-adsorption on Ni(111) in high coverage system
Andam Deatama Refino,M. Kemal Agusta,Hermawan K. Dipojono,None Nugraha
Advanced Materials Research vol:893, issue:AMR.893.35, page:1-38

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The investigation of the adsorption of thiophene on nimos surface: A density functional theory study
Wahyu Aji Eko Prabowo,Mohammad Kemal Agusta,None Nugraha,Hermawan Kresno Dipojono,None Subagjo,Ahmad Husin Lubis
Lecture Notes in Electrical Engineering vol:275 LNEE, issue:978-94-007-7684-5_3, page:1-39

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First principles calculation on the adsorption of water on lithium-montmorillonite (Li-MMT)
Triati Dewi Kencana Wungu,Mohammad Kemal Agusta,Adhitya Gandaryus Saputro,Hideaki Kasai,Hermawan Kresno Dipojono
Journal of Physics Condensed Matter vol:24, issue:475506, page:1-

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DFT study of the formate formation on Ni(111) surface doped by transition metals [Ni(111)-M; M=Cu, Pd, Pt, Rh]
None Nugraha,A.G. Saputro,M.K. Agusta,H.K. Dipojono,F. Rusydi,R. Maezono
Journal of Physics: Conference Series vol:739, issue:012082, page:1-

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Density functional study of methyl butanoate adsorption and its C-O bonds cleavage on MoS2-based catalyst with various loads of Ni promoters
Wahyu Aji Eko Prabowo,None Nugraha,Mohammad Kemal Agusta,Adhitya Gandaryus Saputro,Hermawan Kresno Dipojono,Supriadi Rustad,None Subagjo,Ryo Maezono,Wilson Agerico Dino
Journal of Physics Condensed Matter vol:31, issue:ab2400, page:1-

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Oxygen reduction reaction mechanism on a phosporus-doped pyrolyzed graphitic Fe/N/C catalyst
Hermawan K. Dipojono,Adhitya G. Saputro,Mohammad K. Agusta,Apresio K. Fajrial,Fiki T. Akbar,Febdian Rusydi,Dedy H. B. Wicaksono
New Journal of Chemistry vol:43, issue:c9nj02118c, page:1-11418

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Selectivity of CO and NO adsorption on ZnO (0002) surfaces: A DFT investigation
None Nugraha,Adhitya Gandaryus Saputro,Mohammad Kemal Agusta,Brian Yuliarto,Hermawan K. Dipojono,Febdian Rusydi,Ryo Maezono
Applied Surface Science vol:410, issue:j.apsusc.2017.03.009, page:1-382

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Density functional study on benzene, toluene, ethylbenzene and xylene adsorptions on ZnO(100) surface
None Nugraha,Adhitya Gandaryus Saputro,Mohammad Kemal Agusta,Fiki Taufik Akbar,Aditya Dimas Pramudya
Molekul vol:14, issue:1.jm.2019.14.1.501, page:1-47

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First principles study of oxygen molecule interaction with the graphitic active sites of a boron-doped pyrolyzed Fe-N-C catalyst
Apresio K. Fajrial,Adhitya G. Saputro,Mohammad K. Agusta,None Nugraha,Hermawan K. Dipojono,Febdian Rusydi
Physical Chemistry Chemical Physics vol:19, issue:c7cp02390a, page:1-23504

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Computational Design of Ni-Zn Based Catalyst for Direct Hydrazine Fuel Cell Catalyst Using Density Functional Theory
Adie Tri Hanindriyo,T.B.M. Yusuf Yuda Prawira,Mohammad Kemal Agusta,Hermawan K. Dipojono,Ryo Maezono
Procedia Engineering vol:170, issue:j.proeng.2017.03.034, page:1-153

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Density functional study of adsorptions of CO2, NO2 and SO2 molecules on Zn(0002) surfaces
None Nugraha,A.G. Saputro,M.K. Agusta,B. Yuliarto,H.K. Dipojono,R. Maezono
Journal of Physics: Conference Series vol:739, issue:012080, page:1-

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Ab initio investigation on hydrogen adsorption capability in Zn and Cu-based metal organic frameworks
V.V. Tanuwijaya,N.N. Hidayat,M.K. Agusta,H.K. Dipojono
AIP Conference Proceedings vol:1677, issue:1.4930713, page:1-

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Novel mechanistic insights into methane activation over Fe and Cu active sites in zeolites: A comparative DFT study using meta-GGA functionals
Muhammad Haris Mahyuddin,Adhitya Gandaryus Saputro,Mohammad Kemal Agusta,Hermawan Kresno Dipojono,Kazunari Yoshizawa,Aleksandar Staykov
Journal of Physical Chemistry C vol:124, issue:acs.jpcc.0c04991, page:1-18125

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Effect of surface defects on the interaction of the oxygen molecule with the ZnO(1010) surface
Adhitya Gandaryus Saputro,Nikita Pradnya Paramita Setyagar,Mohammad Kemal Agusta,Hermawan Kresno Dipojono,Fiki Taufik Akbar,Aditya Dimas Pramudya
New Journal of Chemistry vol:44, issue:c9nj06338b, page:1-7385

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Frontier Orbitals of Dehydrogenated Tetrahydrocurcumin in Water Solvent: A Theoretical Study
Lusia S.P. Boli,Vera Khoirunisa,Adhitya G. Saputro,Mohammad K. Agusta,Hermawan K. Dipojono,Heni Rachmawati,Febdian Rusydi
Journal of Physics: Conference Series vol:1090, issue:012029, page:1-

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Dipole strength calculation based on two-level system approximation to study Q=B-band intensity ratio of ZnTBP in solvent
Febdian Rusydi,Ganes Shukri,Adithya G. Saputro,Mohammad K. Agusta,Hermawan K. Dipojono,Suprijadi Suprijadi
Journal of the Physical Society of Japan vol:86, issue:JPSJ.86.044706, page:1-

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Boron and Nitrogen Co-doping Configuration on Pyrolyzed Fe-N4/C Catalyst
Apresio Kefin Fajrial,Muhammad Fadhil Abdulkarim,Adhitya Gandaryus Saputro,Mohammad Kemal Agusta,None Nugraha,Hermawan K. Dipojono
Procedia Engineering vol:170, issue:j.proeng.2017.03.028, page:1-135

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Dissociative Oxygen Reduction Reaction Mechanism on the Neighboring Active Sites of a Boron-Doped Pyrolyzed Fe-N-C Catalyst
Adhitya Gandaryus Saputro,Arifin Luthfi Maulana,Fadjar Fathurrahman,Mohammad Kemal Agusta,Hermawan Kresno Dipojono,Apresio Kefin Fajrial,Fiki Taufik Akbar
Journal of Physical Chemistry C vol:124, issue:acs.jpcc.0c00632, page:1-11391

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Theoretical study on frontier orbitals of dehydrogenated tetrahydrocurcumin in gas phase
Lusia S.P. Boli,Vera Khoirunisa,Adhitya G. Saputro,Mohammad K. Agusta,Hermawan K. Dipojono,Heni Rachmawati,Febdian Rusydi
Journal of Physics: Conference Series vol:1204, issue:012019, page:1-

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DFT and microkinetic investigation of methanol synthesis: Via CO2 hydrogenation on Ni(111)-based surfaces
Arifin Luthfi Maulana,Refaldi Intri Dwi Putra,Adhitya Gandaryus Saputro,Mohammad Kemal Agusta,None Nugraha,Hermawan Kresno Dipojono
Physical Chemistry Chemical Physics vol:21, issue:c9cp02970b, page:1-20286

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Enhanced molecular adsorption of ethylene on reduced anatase TiO2 (001): Role of surface O-vacancies
Ganes Shukri,Wilson Agerico Diño,Hideaki Kasai,Hermawan K. Dipojono,Mohammad Kemal Agusta
RSC Advances vol:6, issue:c6ra13633h, page:1-92251

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Theoretical study of CO2 hydrogenation to methanol on isolated small Pdx clusters
Adhitya G. Saputro,Refaldi I.D. Putra,Arifin L. Maulana,Muhammad U. Karami,Mochamad R. Pradana,Mohammad K. Agusta,Hermawan K. Dipojono,Hideaki Kasai
Journal of Energy Chemistry vol:35, issue:j.jechem.2018.11.005, page:1-87

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