| Direct simulation of excited-state intramolecular proton transfer and vibrational coherence of 10-hydroxybenzo [h] quinoline in solution M Higashi, S Saito The Journal of Physical Chemistry Letters 2 (18), 2366-2371, 2011 | 64 | 2011 |
| Electrostatically embedded multiconfiguration molecular mechanics based on the combined density functional and molecular mechanical method M Higashi, DG Truhlar Journal of Chemical Theory and Computation 4 (5), 790-803, 2008 | 64 | 2008 |
| Theoretical Study on Excited States of Bacteriochlorophyll a in Solutions with Density Functional Assessment M Higashi, T Kosugi, S Hayashi, S Saito The Journal of Physical Chemistry B 118 (37), 10906-10918, 2014 | 49 | 2014 |
| Quantitative evaluation of site energies and their fluctuations of pigments in the Fenna–Matthews–Olson complex with an efficient method for generating a potential energy surface M Higashi, S Saito Journal of chemical theory and computation 12 (8), 4128-4137, 2016 | 44 | 2016 |
| Electron in a cube: Synthesis and characterization of perfluorocubane as an electron acceptor M Sugiyama, M Akiyama, Y Yonezawa, K Komaguchi, M Higashi, ... Science 377 (6607), 756-759, 2022 | 41 | 2022 |
| Combined electrostatically embedded multiconfiguration molecular mechanics and molecular mechanical method: application to molecular dynamics simulation of a chemical reaction … M Higashi, DG Truhlar Journal of Chemical Theory and Computation 4 (7), 1032-1039, 2008 | 40 | 2008 |
| Cinchona-based primary amine catalyzed a proximal functionalization of dienamines: Asymmetric α-fluorination of α-branched enals S Arimitsu, T Yonamine, M Higashi ACS Catalysis 7 (7), 4736-4740, 2017 | 35 | 2017 |
| Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement … M Higashi, S Hayashi, S Kato The Journal of chemical physics 126 (14), 2007 | 35 | 2007 |
| Site-dependent fluctuations optimize electronic energy transfer in the Fenna–Matthews–Olson protein S Saito, M Higashi, GR Fleming The Journal of Physical Chemistry B 123 (46), 9762-9772, 2019 | 34 | 2019 |
| Intramolecular vibrations complement the robustness of primary charge separation in a dimer model of the photosystem II reaction center Y Fujihashi, M Higashi, A Ishizaki The Journal of Physical Chemistry Letters 9 (17), 4921-4929, 2018 | 32 | 2018 |
| Kabirimine, a new cyclic imine from an Okinawan dinoflagellate I Hermawan, M Higa, PUB Hutabarat, T Fujiwara, K Akiyama, A Kanamoto, ... Marine drugs 17 (6), 353, 2019 | 26 | 2019 |
| One-pot synthesis and theoretical calculation for trifluoromethylated pyrrolizidines by 1, 3-dipolar cycloaddition with azomethine ylides and β-trifluoromethyl acrylamides Y Toma, M Kunigami, K Watanabe, M Higashi, S Arimitsu Journal of Fluorine Chemistry 189, 22-32, 2016 | 22 | 2016 |
| Theoretical Study on Electronic and Spin Structures of [Fe2S2]2+,+ Cluster: Reference Interaction Site Model Self-Consistent Field (RISM-SCF) and … M Higashi, S Kato The journal of physical chemistry A 109 (43), 9867-9874, 2005 | 22 | 2005 |
| Identification of a self-photosensitizing hydrogen atom transfer organocatalyst system H Fuse, Y Irie, M Fuki, Y Kobori, K Kato, A Yamakata, M Higashi, ... Journal of the American Chemical Society 144 (14), 6566-6574, 2022 | 21 | 2022 |
| Efficient approach to reactive molecular dynamics with accurate forces M Higashi, DG Truhlar Journal of Chemical Theory and Computation 5 (11), 2925-2929, 2009 | 19 | 2009 |
| Concerted hydrogen atom and electron transfer mechanism for catalysis by lysine-specific demethylase T Yu, M Higashi, A Cembran, J Gao, DG Truhlar The Journal of Physical Chemistry B 117 (28), 8422-8429, 2013 | 18 | 2013 |
| QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins Shigehiko Hayashi, Yoshihiro Uchida, Taisuke Hasegawa, Masahiro Higashi ... Annual Review of Physical Chemistry 68 (1), 2017 | 17 | 2017 |
| A Catalytic Alkylation of Ketones via sp3 C–H Bond Activation X Peng, Y Hirao, S Yabu, H Sato, M Higashi, T Akai, S Masaoka, ... The Journal of Organic Chemistry 88 (10), 6333-6346, 2022 | 14 | 2022 |
| Theoretical study of the mechanism of the solvent dependency of ESIPT in HBT K Naka, H Sato, M Higashi Physical Chemistry Chemical Physics 23 (36), 20080-20085, 2021 | 14 | 2021 |
| Theoretical study on photoexcitation dynamics of a bis-diimine Cu (I) complex in solutions A Agena, S Iuchi, M Higashi Chemical Physics Letters 679, 60-65, 2017 | 13 | 2017 |
