검색결과 : 13건
| No. | Article |
|---|---|
| 1 |
Effect of the Axial Ligand on the Reactivity of the Oxoiron(IV) Porphyrin pi-Cation Radical Complex: Higher Stabilization of the Product State Relative to the Reactant State Takahashi A, Yamaki D, Ikemura K, Kurahashi T, Ogura T, Hada M, Fujii H Inorganic Chemistry, 51(13), 7296, 2012 |
| 2 |
Versatile Supramolecular Gelators That Can Harden Water, Organic Solvents and Ionic Liquids Minakuchi N, Hoe K, Yamaki D, Ten-no S, Nakashima K, Goto M, Mizuhata M, Maruyama T Langmuir, 28(25), 9259, 2012 |
| 3 |
Simple minimum principle to derive a quantum-mechanical/molecular-mechanical method Yasuda K, Yamaki D Journal of Chemical Physics, 121(9), 3964, 2004 |
| 4 |
Theoretical calculations of effective exchange integrals by spin projected and unprojected broken-symmetry methods. I. Cluster models of K2NiF4-type solids Onishi T, Yamaki D, Yamaguchi K, Takano Y Journal of Chemical Physics, 118(21), 9747, 2003 |
| 5 |
Theoretical studies on the electronic states of hole-doped copper oxides Onishi T, Takano Y, Yamaki D, Yamaguchi K Molecular Crystals and Liquid Crystals, 379, 507, 2002 |
| 6 |
Density functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit (I): UBLYP, UB3LYP, and UHF calculations Mitani M, Mori H, Takano Y, Yamaki D, Yoshioka Y, Yamaguchi K Journal of Chemical Physics, 113(10), 4035, 2000 |
| 7 |
Density-functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit (II): Examination of functional dependence Mitani M, Yamaki D, Takano Y, Kitagawa Y, Yoshioka Y, Yamaguchi K Journal of Chemical Physics, 113(23), 10486, 2000 |
| 8 |
Theoretical study of the antiferromagnetic model clusters for K2MX4 type solids Onishi T, Soda T, Kitagawa Y, Takano Y, Yamaki D, Takamizawa S, Yoshioka Y, Yamaguchi K Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 343, 451, 2000 |
| 9 |
Generalized spin-density functional calculation for the spin frustrated systems Yamanaka S, Yamaki D, Shigeta Y, Nagao H, Yoshioka Y, Yamaguchi K, Suzuki N Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 343, 457, 2000 |
| 10 |
Density functional investigation on the ferromagnetic coupling of spins in phenylenevinylene-bridged nitroxide radicals: Monomer and polymer cases Mitani M, Yamaki D, Yoshioka Y, Yamaguchi K Journal of Chemical Physics, 111(5), 2283, 1999 |