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発表論文（全て査読有り）Regular Journals
  1. Mori H., Ueno-Noto K., Osanai Y., Noro T., Fujiwara T., Klobukowski M, Miyoshi E.,
Revised Model Core Potentials for Third Row Transition Metal Atoms from Hf to Hg, 
Chem. Phys. Lett., (2009) in press.
  2. Tsukamoto S, Mori H., Tatewaki H., Miyoshi E., 
CASSCF and CASPT2 Calculations for Lanthanide Trihalides LnX3 using Model Core Potentials, 
Chem. Phys. Lett., 474, 28-32 (2009). [download]
  3. Mori H., Takeshita K, Miyoshi E., Ohta N, 
Theoretical Quest for Photoconversion Molecules having Opposite Directions of the Electric Dipole Moment in the S0 and S1 states, 
J. Chem. Phys., 130, 184311-(1-6) (2009). [download]
  4. Zeng T., Mori H., Miyoshi E., Klobukowski M,
Calibration of New Model Core Potentials for Main Group Elements, 
Int. J. Quantum Chem., (2009) in press.
  5. Osanai Y., Soejima E., Noro T, Mori H., Mon M S, Klobukowski M, Miyoshi E.,
Revised Model Core Potentials for Second Row Transition Metal Atoms from Y to Cd, 
Chem. Phys. Lett., 463, 230-234 (2008). [download]
  6. Mon M S, Mori H., Miyoshi E.,
Theoretical study of low-lying electronic states of Mn2 using a newly developed relativistic model core potential, 
Chem. Phys. Lett, 462, 23-26 (2008). [download]
  7. Kataoka Y, Paul D., Miyake H., Yaita T., Miyoshi E., Mori H., Tsukamoto S., Tatewaki H., Shinoda S., Tsukube H.,
Experimental and Theoretical Approaches Toward Anion-responsive Tripode- Lanthanide Complexes: 
Mixed Donor Ligand Effects on Highly Coordinated Complexation and Luminescence Sensing Profiles, 
Chem. Eur. J., 14, 5258-5266 (2008). [download]
  8. Gajewski M., Tuszynski J., Mori H., Miyoshi E., Klobukowski M.,
DFT studies of the electronic structure and geometry of 18-crown-6, hexaaza [18]annulene, and their complexes with cations of the heavier alkali and alkaline earth metals
Inorg. Chim. Acta, 361, 2166-2171 (2008). [download]
  9. Osanai Y., Ma San Mon, Noro T, Mori H., Nakashima H, Klobukowski M, Miyoshi E.,
Revised Model Core Potentials for First Row Transition Metal Atoms from Sc to Zn, 
Chem. Phys. Lett., 452, 210-214 (2008). [download]
  10. Mori H., Miyoshi E., 
Photo-induced state conversion mechanism for an optical durable molecular memory with controlled hydrogen bond: A spin-orbit CI study of [Co(2,2'-biimidazole)(C6H4O2)(NH3)2]2, 
Bull. Chem. Soc. Jpn, 81, 235-240 (2008). [download]
  11. Zeng T., Jamshidi Z., Mori H., Miyoshi E., Klobkowski M., 
Electron affinities of heavier phosphoryl and thiophosphoryl halides APX3 (A= O, S & X = Br, I), 
J. Comp. Chem., 28, 2027-2033 (2007). [download]
  12. Anjima H., Tsukamoto S., Mori H., Mine M., Klobkowski M., Miyoshi E., 
Revised model core potentials for s-block elements, 
J. Comp. Chem., 28, 2424-2430 (2007). [download]
  13. Mori H., Miyoshi E., 
Theoretical Design of a Molecular Switch with Controlled Hydrogen Bond: Electric and Vibrational Spectra of [Co(2,2'-biimidazole)(C6H4O2)(NH3)2]2, 
Bull. Chem. Soc. Jpn, 80, 1335-1340 (2007). [download]
  14. Mine M., Mori H., Ogata M, Tanaka S., Tsutsui T., Miyoshi E., 
Computational research of the electronic structure of benzene trimer cation by ab initio method, 
Chem. Phys. Lett., 438, 157-161 (2007). [download]
  15. Mori H., Ishii K., Miyoshi E., 
Electronic Structure and Photo Chemistry of Inorganic Photochromic Complex [Cu(N,N'-diethylethylenediamine)2]2+ : Planar-Tetrahedral Geometry Change Accompanied with d9-d10 Electronic Transition, 
J. Theo. Comp. Chem., 5, 887-894 (2006). [download]
  16. Ishikawa T., Mochizuki Y., Imamura K., Nakano T., Mori H., Tokiwa H., Tanaka K., Miyoshi E., Tanaka S., Application of Fragment Molecular Orbital Scheme to Silicon-Containing systems, Chem. Phys. Lett., 430, 361-366 (2006). [download]
  17. Ishikawa T., Mochizuki Y., Nakano T.,Amari S., Mori H., Honda H.，Fujita T., Tokiwa H.,Tanaka S., Komeiji Y., Fukuzawa K., Tanaka K., Miyoshi E., Fragment molecular orbital calculations on large scale systems containing heavy metal atom, Chem. Phys. Lett., 427, 159-165 (2006). [download]
  18. Miyoshi E., Mori H., Hirayama R., Osanai Y., Noro T., Honda H., Klobkowski M., 
Compact and efficient basis sets of s- and p-block elements for model core potential method., 
J. Chem. Phys., 122, 074104-(1-8) (2005). [download]
  19. Mori H., Miyoshi E., 
Possibility of molecular-switch with controlled hydrogen bond: utility of combination of 2,2'-biimidazole and redox-active ligand, 
J. Theo. Comp. Chem, 4, 333-344 (2005). [download]
  20. Mori H., Miyoshi E., 
Theoretical design of a new optical durable molecular switch, 
Chem. Lett., 33, 758-759 (2004). [download]
  21. Mori H., Miyoshi E., 
The hydrogen bond of one-dimensional assembled complex [Ni(2,2-biimidazole)2]: The effect of transition metal to the hydrogen bond, 
Bull. Chem. Soc. Jpn., 77, 687-690 (2004). [download]
  22. Mori H., Sekiya H., Miyoshi E., Mogi K., Sakai Y., 
Effects of inter molecular interaction on proton tunneling: Theoretical study on two-dimensional potential energy surfaces for 9-hydroxyphenalenon－CO2/H2O complexes, 
J. Chem. Phys., 119, 4159-4165 (2003). [download]
  23. Miyoshi E., Iura T., Sakai Y., Tochihara H., Tanaka S., Mori H., 
Molecular orbital study for Na, Mg, and Al adsorption on the Si(111) surface, 
J. Mol. Struct. (THEOCHEM), 630, 225-232 (2003). [download]
  24. Miyoshi E., Mori H., Tanaka S., Sakai Y., 
Theoretical study of interactions between the Si(111) surface and metal atoms, 
Surface Science, 514, 383-388 (2002). [download]
  25. Mori H., Furusawa J., Sekiya H., 
Experimental and theoretical study on proton tunneling in jet-cooled 9-hydroxyphenalenone-CO2 van der Waals complex, 
Bull．Pol. Acad. Sci., 50, 451-462 (2002).
  26. Otsubo N., Okabe C., Mori H., Sakota K., Amimoto K., Kawato T., Sekiya H., 
Excited-state intramolecular proton transfer in photochromic jet-cooled N-salicylideneaniline, 
J. Photochem. Photobiol. A., 154, 33-39 (2002) [download].
  27. Mori H., Shida N., Miyoshi E., Sekiya H., 
Theoretical study on proton tunneling potential of 9-hydroxyphenalenone-CO2 complex, 
Jpn. J. Deuterium Sci., 11, 9-21 (2002).
  28. Mori H., Kugisaki H., Inokuchi Y., Nishi N., Miyoshi E., Sakota K., Ohashi K., Sekiya H., 
LIF and IR dip spectra of jet-cooled p-aminophenol-M (M=CO, N2): Hydrogen-bonded or van der Waals-bonded structure?, 
J. Phys. Chem. A, 106, 4886-4890 (2002). [download]
  29. Mori H., Kugisaki H., Inokuchi Y., Nishi N., Miyoshi E., Sakota K., Ohashi K., Sekiya H., 
Structure and intermolecular hydrogen bond of jet-cooled p-aminophenol-(H2O)1 studied by electronic and IR-dip spectroscopy and density functional calculations, 
Chem. Phys. Lett., 277, 105-115 (2002). [download]
査読付きプロシーディング　Proceedings
  1. Li L., Kenny J. P., Wu M.-S., Huck K., Gaenko A., Gordon M. S., Janssen C. L., McInnes L. C., Mori H., Netzloff H., Norris B., Windus T. L.,
Adaptive Application Composition in Quantum Chemistry,Argonne National Laboratory Preprint ANL/MCS-P1575-0209, to appear in the 5th International Conference on the Quality of Software Architectures (QoSA 2009), East Stroudsburg University, Pennsylvania, USA, June 22-26, (2009). [download]
  2. Wu M.-S., Mori H., Bentz J., Windus T., Netzloff H., Sosonkina M., Gordon M. S.,
Constructing a Performance Database for Large-Scale Quantum Chemistry Packages,  High Performance Computing and Simulation Symposium (HPCS 2008), Ottawa, Canada, April 14-16, (2008). [download]
  3. Nakashima H., Mori H., Miyoshi E.,
Theoretical Study on Structures of Gold, Silver, and Copper Clusters Using Relativistic Model Core Potential, 1st WESEA International Conference on Computational Chemistry, 11-13 (2007).
  4. Osanai Y., Ma San Mon, Noro T, Mori H., Nakashima H, Klobukowski M, Miyoshi E.,
Application of Newly Developed spdsMCPs for First Row Transition Metal Elements, 1st WESEA International Conference on Computational Chemistry, 14-18 (2007).
  5. 近藤真之，森寛敏，三好永作
『有機 EL 亜鉛錯体の密度汎関数法による理論研究』
有機 EL 討論会第二回例会論文集, 有機 EL 討論会 出版，27-28頁，2005年
  6. 森寛敏，近藤真之，劉瀟, 平山泰子, 片平賀子, 筒井哲夫，三好永作 
『溶媒効果と置換基の立体障害による有機 EL 材料の電子構造変化
 ～ 量子化学計算で見る 2-(o-hydroxyphenyl)benzoxazole Zn 錯体の幾何構造～』
有機 EL 討論会第一回例会論文集, 有機 EL 討論会 出版，7-8頁，2005年．
  7. 筒井哲夫，劉瀟，平山泰子，片平賀子，森寛敏，近藤真之，三好永作 
『ハイドロキシフェニルベンズオキサゾール誘導体亜鉛錯体の薄膜構造についての再考察』
有機 EL 討論会第一回例会論文集, 有機 EL 討論会 出版，17-18頁，2005年．