共 8 条
- [1] ABINITIO MO CALCULATIONS OF EFFECTIVE EXCHANGE INTEGRALS BETWEEN TRANSITION-METAL IONS VIA OXYGEN DIANIONS - NATURE OF THE COPPER-OXYGEN BONDS AND SUPERCONDUCTIVITYJAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 1987, 26 (08): : L1362 - L1364YAMAGUCHI, KTAKAHARA, YFUENO, TNASU, K
- [2] ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF EFFECTIVE EXCHANGE INTEGRALS BETWEEN TRANSITION-METAL IONSCHEMICAL PHYSICS LETTERS, 1988, 143 (04) : 371 - 376YAMAGUCHI, KTSUNEKAWA, TTOYODA, YFUENO, T
- [3] AB INITIO MO STUDIES ON THE CORRELATION AND SPIN CORRELATION EFFECTS FOR COPPER-OXYGEN AND COPPER-HALOGEN BONDS IN HIGH-Tc COPPER OXIDE SUPERCONDUCTORS.Japanese Journal of Applied Physics, Part 2: Letters, 1987, 26 (12): : 2037 - 2040Yamaguchi, KizashiTakahara, YoichiFueno, TakayukiNasu, Keiichiro
- [4] ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF EFFECTIVE EXCHANGE INTEGRALS FOR TRANSITION-METAL OXIDES AND HALIDES - STRONG SUPEREXCHANGE INTERACTIONS AND HIGH-TC SUPERCONDUCTIVITYPHYSICA C, 1988, 153 (02): : 1213 - 1214YAMAGUCHI, KTAKAHARA, YFUENO, TNASU, K
- [5] AB INITIO AND SEMIEMPIRICAL MO CALCULATIONS OF INTERMOLECULAR EFFECTIVE EXCHANGE INTEGRALS BETWEEN ORGANIC RADICALS. DESIGNING OF ORGANIC FERROMAGNET, FERRIMAGNET AND FERROMAGNETIC CONDUCTORS.Synthetic Metals, 1986, 19 (1-3) : 87 - 92Yamaguchi, KizashiToyoda, YasuyukiNakano, MasayoshiFueno, Takayuki
- [6] Ab initio MO calculations of superexchange integrals for transition-metal fluorides: MFM(3+) (M=Cu(II), Ni(II), and Mn(II)). Active control of the magnetic statesMOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1996, 285 : 507 - 514Fujiwara, MNishino, MTakamizawa, SMori, WYamaguchi, K
- [7] Screening of single-atomic catalysts loaded on two-dimensional transition metal dichalcogenides for electrocatalytic oxygen reduction via high throughput ab initio calculationsJOURNAL OF COLLOID AND INTERFACE SCIENCE, 2025, 684 : 251 - 261Sun, HaoGao, LiyaoLi, YizheXu, QingzhenLi, YapingLiu, Wen
- [8] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS OF TRANSITION-METAL COMPLEXES .3. GROUND-STATES OF PERMANGANATE, CHROMATE AND VANADATE IONS AS STUDIED BY EXTENDED BASIS SCF-MO CALCULATIONS AND X-RAY SPECTROSCOPYMOLECULAR PHYSICS, 1972, 24 (03) : 497 - +CONNOR, JABARBER, MSAUNDERS, VRWOOD, MHHILLIER, IH