| Compact and efficient basis sets of s-and p-block elements for model core potential method E Miyoshi, H Mori, R Hirayama, Y Osanai, T Noro, H Honda, ... The Journal of chemical physics 122 (7), 2005 | 72 | 2005 |
| Excited-state intramolecular proton transfer in photochromic jet-cooled N-salicylideneaniline N Otsubo, C Okabe, H Mori, K Sakota, K Amimoto, T Kawato, H Sekiya Journal of Photochemistry and Photobiology A: Chemistry 154 (1), 33-39, 2002 | 68 | 2002 |
| Fragment molecular orbital calculations on large scale systems containing heavy metal atom T Ishikawa, Y Mochizuki, T Nakano, S Amari, H Mori, H Honda, T Fujita, ... Chemical physics letters 427 (1-3), 159-165, 2006 | 58 | 2006 |
| Electronic band structure calculations on thin films of the L21 full Heusler alloys X2YSi (X, Y= Mn, Fe, and Co): Toward spintronic materials H Mori, Y Odahara, D Shigyo, T Yoshitake, E Miyoshi Thin Solid Films 520 (15), 4979-4983, 2012 | 43 | 2012 |
| Fragment molecular orbital-based molecular dynamics (FMO-MD) simulations on hydrated Zn (II) ion T Fujiwara, Y Mochizuki, Y Komeiji, Y Okiyama, H Mori, T Nakano, ... Chemical Physics Letters 490 (1-3), 41-45, 2010 | 39 | 2010 |
| Experimental and Theoretical Approaches Toward Anion‐Responsive Tripod–Lanthanide Complexes: Mixed‐Donor Ligand Effects on Lanthanide Complexation and Luminescence Sensing Profiles Y Kataoka, D Paul, H Miyake, T Yaita, E Miyoshi, H Mori, S Tsukamoto, ... Chemistry–A European Journal 14 (17), 5258-5266, 2008 | 36 | 2008 |
| Revised model core potentials for third-row transition–metal atoms from Lu to Hg H Mori, K Ueno-Noto, Y Osanai, T Noro, T Fujiwara, M Klobukowski, ... Chemical Physics Letters 476 (4-6), 317-322, 2009 | 33 | 2009 |
| Origin of high oxygen reduction reaction activity of Pt12 and strategy to obtain better catalyst using sub-nanosized Pt-alloy clusters K Miyazaki, H Mori Scientific Reports 7 (1), 45381, 2017 | 30 | 2017 |
| Differences in hydration between cis-and trans-platin: Quantum insights by ab initio fragment molecular orbital-based molecular dynamics (FMO-MD) H Mori, N Hirayama, Y Komeiji, Y Mochizuki Computational and Theoretical Chemistry 986, 30-34, 2012 | 26 | 2012 |
| Room‐Temperature Phosphorescence Emitters Exhibiting Red to Near‐Infrared Emission Derived from Intermolecular Charge‐Transfer Triplet States of Naphthalenediimide … T Ono, K Kimura, M Ihara, Y Yamanaka, M Sasaki, H Mori, Y Hisaeda Chemistry–A European Journal 27 (37), 9535-9541, 2021 | 25 | 2021 |
| Molecular dynamics: theoretical developments and applications in nanotechnology and energy L Wang BoD–Books on Demand, 2012 | 25 | 2012 |
| Theoretical study on vibrational circular dichroism spectra of tris (acetylacetonato) metal (III) complexes: Anharmonic effects and low-lying excited states H Mori, A Yamagishi, H Sato The Journal of chemical physics 135 (8), 2011 | 25 | 2011 |
| Theoretical study of hydration models of trivalent rare-earth ions using model core potentials T Fujiwara, H Mori, Y Mochizuki, H Tatewaki, E Miyoshi Journal of Molecular Structure: THEOCHEM 949 (1-3), 28-35, 2010 | 25 | 2010 |
| Revised model core potentials for first-row transition-metal atoms from Sc to Zn Y Osanai, M San Mon, T Noro, H Mori, H Nakashima, M Klobukowski, ... Chemical Physics Letters 452 (1-3), 210-214, 2008 | 24 | 2008 |
| CASSCF and CASPT2 calculations for lanthanide trihalides LnX3 using model core potentials S Tsukamoto, H Mori, H Tatewaki, E Miyoshi Chemical Physics Letters 474 (1-3), 28-32, 2009 | 23 | 2009 |
| Density functional theory calculations of iodine cluster anions: Structures, chemical bonding nature, and vibrational spectra M Otsuka, H Mori, H Kikuchi, K Takano Computational and Theoretical Chemistry 973 (1-3), 69-75, 2011 | 22 | 2011 |
| Iowa State University MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... J. Comp. Chem 14, 1347, 1993 | 22* | 1993 |
| Structure and intermolecular hydrogen bond of jet-cooled p-aminophenol–(H2O) 1 studied by electronic and IR-dip spectroscopy and density functional theory calculations H Mori, H Kugisaki, Y Inokuchi, N Nishi, E Miyoshi, K Sakota, K Ohashi, ... Chemical physics 277 (2), 105-115, 2002 | 21 | 2002 |
| Simple oligothiophene-based dyes for dye-sensitized solar cells (DSSCs): anchoring group effects on molecular properties and solar cell performance E Miyazaki, T Okanishi, Y Suzuki, N Ishine, H Mori, K Takimiya, Y Harima Bulletin of the Chemical Society of Japan 84 (5), 459-465, 2011 | 20 | 2011 |
| Revised model core potentials for second-row transition metal atoms from Y to Cd Y Osanai, E Soejima, T Noro, H Mori, M San Mon, M Klobukowski, ... Chemical Physics Letters 463 (1-3), 230-234, 2008 | 19 | 2008 |
Yuji MochizukiRikkyo University, ProfessorVerified email at rikkyo.ac.jp
