Hirotoshi MORI
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Compact and efficient basis sets of - and -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), 074104, 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
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
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
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
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
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
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
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
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
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), 084506, 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
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
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
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
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
Recent advances in fragment molecular orbitalbased molecular dynamics (FMO-MD) simulations
Y Komeiji, Y Mochizuki, T Nakano, H Mori
Molecular Dynamics-Theoretical Developments and Applications in …, 2012
Application of fragment molecular orbital scheme to silicon-containing systems
T Ishikawa, Y Mochizuki, K Imamura, T Nakano, H Mori, H Tokiwa, ...
Chemical physics letters 430 (4-6), 361-366, 2006
Theoretical study of lanthanide mono cation-mediated C–F bond activation
A Matsuda, H Mori
Chemical Physics 380 (1-3), 48-53, 2011
Theoretical Study on the Hydration Structure of Divalent Radium Ion Using Fragment Molecular Orbital–Molecular Dynamics (FMO–MD) Simulation
A Matsuda, H Mori
Journal of Solution Chemistry 43, 1669-1675, 2014
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