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Hirotoshi MORI
Tytuł
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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
722005
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
682002
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
582006
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
432012
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
382010
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
362008
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
332009
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
292017
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
262012
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
252021
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
252010
Molecular dynamics: theoretical developments and applications in nanotechnology and energy
L Wang
BoD–Books on Demand, 2012
242012
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
242008
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
232009
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
222011
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
222011
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
212002
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
202011
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
192008
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