| Ruthenium (II)-catalyzed hydrogenation of carbon dioxide to formic acid. Theoretical study of real catalyst, ligand effects, and solvation effects Y Ohnishi, T Matsunaga, Y Nakao, H Sato, S Sakaki Journal of the American Chemical Society 127 (11), 4021-4032, 2005 | 201 | 2005 |
| It takes more than an imine: the role of the central atom on the electron-accepting ability of benzotriazole and benzothiadiazole oligomers DG Patel, F Feng, Y Ohnishi, KA Abboud, S Hirata, KS Schanze, ... Journal of the American Chemical Society 134 (5), 2599-2612, 2012 | 176 | 2012 |
| Ruthenium (II)-catalyzed hydrogenation of carbon dioxide to formic acid. Theoretical study of significant acceleration by water molecules Y Ohnishi, Y Nakao, H Sato, S Sakaki Organometallics 25 (14), 3352-3363, 2006 | 112 | 2006 |
| Why does fluoride anion accelerate transmetalation between vinylsilane and palladium (II)− vinyl complex? Theoretical study A Sugiyama, Y Ohnishi, M Nakaoka, Y Nakao, H Sato, S Sakaki, Y Nakao, ... Journal of the American Chemical Society 130 (39), 12975-12985, 2008 | 101 | 2008 |
| Orbital optimized unitary coupled cluster theory for quantum computer W Mizukami, K Mitarai, YO Nakagawa, T Yamamoto, T Yan, Y Ohnishi Physical Review Research 2 (3), 033421, 2020 | 94 | 2020 |
| Perspective: Explicitly correlated electronic structure theory for complex systems A Grüneis, S Hirata, Y Ohnishi, S Ten-No The Journal of Chemical Physics 146 (8), 2017 | 75 | 2017 |
| A theoretical study of nickel (0)-catalyzed phenylcyanation of alkynes. Reaction mechanism and regioselectivity Y Ohnishi, Y Nakao, H Sato, Y Nakao, T Hiyama, S Sakaki Organometallics 28 (8), 2583-2594, 2009 | 66 | 2009 |
| Applications of quantum computing for investigations of electronic transitions in phenylsulfonyl-carbazole TADF emitters Q Gao, GO Jones, M Motta, M Sugawara, HC Watanabe, T Kobayashi, ... npj Computational Materials 7 (1), 70, 2021 | 56 | 2021 |
| Theoretical and computational studies of organometallic reactions: Successful or not? S Sakaki, YY Ohnishi, H Sato The Chemical Record 10 (1), 29-45, 2010 | 39 | 2010 |
| Variational quantum simulation for periodic materials N Yoshioka, T Sato, YO Nakagawa, Y Ohnishi, W Mizukami Physical Review Research 4 (1), 013052, 2022 | 37 | 2022 |
| Theoretical Study of Oxidative Additions of H2 and MeCN to a Nickel (0) Complex: Significantly Large Correlation Effects and Characteristic Features of the Reaction Y Ohnishi, Y Nakao, H Sato, S Sakaki The Journal of Physical Chemistry A 111 (32), 7915-7924, 2007 | 29 | 2007 |
| Logarithm second-order many-body perturbation method for extended systems Y Ohnishi, S Hirata The Journal of chemical physics 133 (3), 2010 | 28 | 2010 |
| Extensivity of energy and electronic and vibrational structure methods for crystals S Hirata, M Keçeli, Y Ohnishi, O Sode, K Yagi Annual Review of Physical Chemistry 63, 131-153, 2012 | 27 | 2012 |
| Quantum chemistry simulation of ground-and excited-state properties of the sulfonium cation on a superconducting quantum processor M Motta, GO Jones, JE Rice, TP Gujarati, R Sakuma, I Liepuoniute, ... Chemical Science 14 (11), 2915-2927, 2023 | 26 | 2023 |
| Frontier orbital consistent quantum capping potential (FOC-QCP) for bulky ligand of transition metal complexes Y Ohnishi, Y Nakao, H Sato, S Sakaki The Journal of Physical Chemistry A 112 (9), 1946-1955, 2008 | 23 | 2008 |
| Simulating time evolution with fully optimized single-qubit gates on parametrized quantum circuits K Wada, R Raymond, Y Ohnishi, E Kaminishi, M Sugawara, N Yamamoto, ... Physical Review A 105 (6), 062421, 2022 | 19 | 2022 |
| Explicitly correlated frequency‐independent second‐order green's function for accurate ionization energies Y Ohnishi, S Ten‐no Journal of Computational Chemistry 37 (27), 2447-2453, 2016 | 19 | 2016 |
| Conjugated polymers for pure UV light emission: Poly(meta‐phenylenes) DGD Patel, Y Ohnishi, Y Yang, SH Eom, RT Farley, KR Graham, J Xue, ... Journal of polymer science Part B: polymer physics 49 (8), 557-565, 2011 | 16 | 2011 |
| Hybrid coupled-cluster and perturbation method for extended systems of one-dimensional periodicity Y Ohnishi, S Hirata The Journal of chemical physics 135 (9), 2011 | 15 | 2011 |
| Optimizing parameterized quantum circuits with free-axis selection HC Watanabe, R Raymond, YY Ohnishi, E Kaminishi, M Sugawara 2021 IEEE International Conference on Quantum Computing and Engineering (QCE …, 2021 | 14 | 2021 |
