| Reactivity descriptors for borohydride interaction with metal surfaces MCS Escano, E Gyenge, RL Arevalo, H Kasai The Journal of Physical Chemistry C 115 (40), 19883-19889, 2011 | 57 | 2011 |
| NO dissociation on Cu (111) and Cu2O (111) surfaces: a density functional theory based study AAB Padama, H Kishi, RL Arevalo, JLV Moreno, H Kasai, M Taniguchi, ... Journal of Physics: Condensed Matter 24 (17), 175005, 2012 | 53 | 2012 |
| Tuning methane decomposition on stepped Ni surface: The role of subsurface atoms in catalyst design RL Arevalo, SM Aspera, MCS Escaņo, H Nakanishi, H Kasai Scientific reports 7 (1), 1-8, 2017 | 45 | 2017 |
| Structure and stability of borohydride on Au (111) and Au 3 M (111)(M= Cr, Mn, Fe, Co, Ni) surfaces RL Arevalo, MCS Escaņo, AYS Wang, H Kasai Dalton Transactions 42 (3), 770-775, 2013 | 37 | 2013 |
| Mechanistic insight into the Au-3d metal alloy-catalyzed borohydride electro-oxidation: from electronic properties to thermodynamics RL Arevalo, MCS Escaño, H Kasai ACS Catalysis 3 (12), 3031-3040, 2013 | 25 | 2013 |
| A theoretical study of the structure and stability of borohydride on 3d transition metals RL Arevalo, MCS Escaņo, E Gyenge, H Kasai Surface science 606 (23-24), 1954-1959, 2012 | 24 | 2012 |
| Electrocatalysis of borohydride oxidation: a review of density functional theory approach combined with experimental validation MCS Escaņo, RL Arevalo, E Gyenge, H Kasai Journal of Physics: Condensed Matter 26 (35), 353001, 2014 | 22 | 2014 |
| Computational Mechanistic Study of Borohydride Electrochemical Oxidation on Au3Ni(111) RL Arevalo, MCS Escaño, H Kasai The Journal of Physical Chemistry C 117 (8), 3818-3825, 2013 | 21 | 2013 |
| A theoretical study of the reactivity of Cu2O (111) surfaces: the case of NO dissociation H Kishi, AAB Padama, RL Arevalo, JLV Moreno, H Kasai, M Taniguchi, ... Journal of Physics: Condensed Matter 24 (26), 262001, 2012 | 17 | 2012 |
| First principles calculations of transition metal binary alloys: Phase stability and surface effects SM Aspera, RL Arevalo, K Shimizu, R Kishida, K Kojima, NH Linh, ... Journal of Electronic Materials 46 (6), 3776-3783, 2017 | 14 | 2017 |
| Sulfation of a PdO (101) methane oxidation catalyst: mechanism revealed by first principles calculations RL Arevalo, SM Aspera, H Nakanishi Catalysis Science & Technology 9 (1), 232-240, 2019 | 12 | 2019 |
| Oxidation of NO on Pt/M (M= Pt, Co, Fe, Mn): a first-principles density functional theory study RL Arevalo, K Oka, H Nakanishi, H Kasai, H Maekawa, K Osumi, ... Catalysis Science & Technology 5 (2), 882-886, 2015 | 12 | 2015 |
| Ru-catalyzed steam methane reforming: Mechanistic study from first principles calculations RL Arevalo, SM Aspera, MC Sison Escaño, H Nakanishi, H Kasai ACS omega 2 (4), 1295-1301, 2017 | 11 | 2017 |
| Density functional theory-based First principles calculations of rhododendrol-quinone reactions: Preference to thiol binding over cyclization R Kishida, H Kasai, SM Aspera, RL Arevalo, H Nakanishi Journal of the Physical Society of Japan 86 (2), 024804, 2017 | 11 | 2017 |
| Pt (111)-alloy surfaces for non-activated OOH dissociation WT Cahyanto, MC Escaņo, H Kasai, RL Arevalo e-Journal of Surface Science and Nanotechnology 9, 352-356, 2011 | 11 | 2011 |
| Branching reaction in melanogenesis: The effect of intramolecular cyclization on thiol binding R Kishida, H Kasai, SM Aspera, RL Arevalo, H Nakanishi Journal of Electronic Materials 46 (6), 3784-3788, 2017 | 10 | 2017 |
| First principles study of methane decomposition on B5 step-edge type site of Ru surface RL Arevalo, SM Aspera, MCS Escaņo, H Nakanishi, H Kasai Journal of Physics: Condensed Matter 29 (18), 184001, 2017 | 10 | 2017 |
| Rational synthesis for a noble metal carbide T Wakisaka, K Kusada, D Wu, T Yamamoto, T Toriyama, S Matsumura, ... Journal of the American Chemical Society 142 (3), 1247-1253, 2019 | 8 | 2019 |
| Effects of introduction of α‐carboxylate, N‐methyl, and N‐formyl groups on intramolecular cyclization of o‐quinone amines: Density functional theory‐based study R Kishida, AG Saputro, RL Arevalo, H Kasai International Journal of Quantum Chemistry 117 (23), e25445, 2017 | 8 | 2017 |
| A Theoretical Study on the Adsorption of CO2 on CuO(110) Surface JLV Moreno, RL Arevalo, MCS Escaņo, AAB Padama, H Kasai Journal of the Physical Society of Japan 84 (1), 015003, 2015 | 7 | 2015 |
Mary Clare Sison EscanoUniversity of FukuiVerified email at u-fukui.ac.jp
