| Confined water-mediated high proton conduction in hydrophobic channel of a synthetic nanotube K Otake, K Otsubo, T Komatsu, S Dekura, JM Taylor, R Ikeda, K Sugimoto, ... Nature communications 11 (1), 843, 2020 | 123 | 2020 |
| Divide-and-conquer-type density-functional tight-binding molecular dynamics simulations of proton diffusion in a bulk water system H Nakai, AW Sakti, Y Nishimura The Journal of Physical Chemistry B 120 (1), 217-221, 2016 | 59 | 2016 |
| Rigorous pKa Estimation of Amine Species Using Density-Functional Tight-Binding-Based Metadynamics Simulations AW Sakti, Y Nishimura, H Nakai Journal of chemical theory and computation 14 (1), 351-356, 2018 | 40 | 2018 |
| Divide-and-conquer-type density-functional tight-binding simulations of hydroxide ion diffusion in bulk water AW Sakti, Y Nishimura, H Nakai The Journal of Physical Chemistry B 121 (6), 1362-1371, 2017 | 40 | 2017 |
| Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Study on the Formation of Carbamate Ions during CO2 Chemical Absorption in … AW Sakti, Y Nishimura, H Sato, H Nakai Bulletin of the Chemical Society of Japan 90 (11), 1230-1235, 2017 | 35 | 2017 |
| Development of Divide‐and‐Conquer Density‐Functional Tight‐Binding Method for Theoretical Research on Li‐Ion Battery CP Chou, AW Sakti, Y Nishimura, H Nakai The Chemical Record 19 (4), 746-757, 2019 | 17 | 2019 |
| Effects of salt concentration on the water and ion self-diffusion coefficients of a model aqueous sodium-ion battery electrolyte AW Sakti, ST Wahyudi, F Ahmad, N Darmawan, H Hardhienata, H Alatas The Journal of Physical Chemistry B 126 (11), 2256-2264, 2022 | 16 | 2022 |
| Recent advances in quantum‐mechanical molecular dynamics simulations of proton transfer mechanism in various water‐based environments AW Sakti, Y Nishimura, H Nakai Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (1), e1419, 2020 | 16 | 2020 |
| Density-Functional Tight-Binding Molecular Dynamics Simulations of Excess Proton Diffusion in Ice Ih, Ice Ic, Ice III, and Melted Ice VI Phases AW Sakti, Y Nishimura, CP Chou, H Nakai The Journal of Physical Chemistry A 122 (1), 33-40, 2018 | 16 | 2018 |
| Zr-MOFs–catalyzed transfer hydrogenation of furfural to furfuryl alcohol: Unveiled performance of DUT-52 KD Agusta, MF Miharja, AW Sakti, USF Arrozi, L Mukaromah, A Patah, ... Molecular Catalysis 524, 112265, 2022 | 14 | 2022 |
| Density-Functional Tight-Binding Study of Carbonaceous Species Diffusion on the (100)-γ-Al2O3 Surface AW Sakti, CP Chou, H Nakai ACS omega 5 (12), 6862-6871, 2020 | 10 | 2020 |
| Cloning, heterologous expression, and characterization of a novel thioesterase from natural sample G Mahardika, L Dewi, H Yohandini, MP Widhiastuty, RAW Sakti, ... Heliyon 7 (3), 2021 | 6 | 2021 |
| Is Oxygen Diffusion Faster in Bulk CeO2 or on a (111)-CeO2 Surface? A Theoretical Study AW Sakti, CP Chou, Y Nishimura, H Nakai Chemistry Letters 50 (4), 568-571, 2021 | 5 | 2021 |
| Nitrile modulated-Ni (0) phosphines in trans-selective phenylpropenoids isomerization: An allylic route by a regular η1-N (end-on) or an alkyl route via a flipped-nitrile? L Saputra, N Gustini, N Sinambela, NP Indriyani, AW Sakti, USF Arrozi, ... Molecular Catalysis 533, 112768, 2022 | 3 | 2022 |
| Effects of Nickel/Manganese Variation on Na2Mn3–zNizO7 for Sodium-Ion Battery Cathodes A Tinambunan, F Ahmad, AW Sakti, PA Putro, Syafri, H Alatas The Journal of Physical Chemistry C 126 (49), 20754-20761, 2022 | 2 | 2022 |
| Fabrication of solid polymer electrolyte based on carboxymethyl cellulose complexed with lithium acetate salt as Lithium‐ion battery separator DA Darmawan, E Yulianti, Q Sabrina, K Ishida, AW Sakti, H Nakai, ... Polymer Composites 45 (3), 2032-2049, 2024 | 1 | 2024 |
| Exploring the energetics of Suzuki cross-coupling reaction: A computational study of palladium and nickel catalysts LR Jannah, AW Sakti, MA Martoprawiro, GK Sunnardianto Molecular Catalysis 560, 114103, 2024 | | 2024 |
| Effects of fused thiophene Π-bridge on the electronic and optical properties of modified theaflavin natural dye Syafri, F Ahmad, A Wibawa Sakti, PA Putro, A Tinambunan, H Alatas Molecular Simulation, 1-12, 2024 | | 2024 |
| Ring-opening polymerization of ε-caprolactone by Zr (IV) tris (β-diketonates): Electronic character of complexes in initiation and propagation steps M Yusuf, NP Indriyani, AW Sakti, H Nakai, IM Arcana, MA Martoprawiro, ... Inorganica Chimica Acta 561, 121872, 2024 | | 2024 |
| Density-Functional Tight-Binding Molecular Dynamics Study on Fixation Reaction of CO2 to Styrene Oxide Catalyzed by Mg-MOF-74 Metal-Organic Framework CP Chou, AW Sakti, Y Tsuchiya, Y Sekine, H Nakai Chemistry Letters, upae004, 2024 | | 2024 |
Hiromi NakaiProfessor, Dept. of Chemistry & Biochemistry, School of Advanced Science & Engineering, Waseda Univ.Verified email at waseda.jp
