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Results: 26-47/47
Authors:
Hada, M
Fukuda, R
Nakatsuji, H
Citation: M. Hada et al., Dirac-Fock calculations of the magnetic shielding constants of protons andheavy nuclei in XH2 & = O, S, Se, and Te): a comparison with quasi-relativistic calculations, CHEM P LETT, 321(5-6), 2000, pp. 452-458
Authors:
Nakatsuji, H
Citation: H. Nakatsuji, Density equation theory in chemical physics, MAT COM CHE, 2000, pp. 85-116
Authors:
Lu, X
Xu, X
Wang, NQ
Zhang, QE
Ehara, M
Nakatsuji, H
Citation: X. Lu et al., Heterolytic adsorption of H-2 on ZnO(10(1)over-bar-0) surface: An ab initio SPC cluster model study, J PHYS CH B, 103(14), 1999, pp. 2689-2695
Authors:
Nakatsuji, H
Citation: H. Nakatsuji, Equation for the direct determination of the density matrix: Time-dependent density equation and perturbation theory, THEOR CH AC, 102(1-6), 1999, pp. 97-104
Authors:
Ehara, M
Tomasello, P
Hasegawa, J
Nakatsuji, H
Citation: M. Ehara et al., SAC-CI general-R study of the ionization spectrum of HCl, THEOR CH AC, 102(1-6), 1999, pp. 161-164
Authors:
Xu, X
Nakatsuji, H
Lu, X
Ehara, M
Cai, Y
Wang, NQ
Zhang, QE
Citation: X. Xu et al., Cluster modeling of metal oxides: case study of MgO and the CO MgO adsorption system, THEOR CH AC, 102(1-6), 1999, pp. 170-179
Authors:
Ehara, M
Nakatsuji, H
Citation: M. Ehara et H. Nakatsuji, Ionization spectrum of CO2 studied by the SAC-CI general-R method, SPECT ACT A, 55(3), 1999, pp. 487-493
Authors:
Nakajima, T
Nakatsuji, H
Citation: T. Nakajima et H. Nakatsuji, Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC-CI (configuration interaction) method, CHEM PHYS, 242(2), 1999, pp. 177-193
Authors:
Hosoya, H
Yamabe, S
Morokuma, K
Ohno, K
Aoyagi, M
Hada, M
Hashimoto, K
Honda, K
Iwata, S
Kashiwagi, H
Koga, N
Matsushita, T
Matsuzawa, H
Minamino, S
Nagashima, U
Nakatsuji, H
Noro, T
Obara, S
Osamura, Y
Takano, K
Tanaka, K
Yabushita, S
Yamamoto, S
Yamashita, K
Citation: H. Hosoya et al., Quantum chemistry literature data base - Supplement 18 - Bibliography of ab initio calculations for 1998, J MOL ST-TH, 495, 1999, pp. 2-4
Authors:
Hu, ZM
Ito, H
Hara, S
Nakatsuji, H
Citation: Zm. Hu et al., Mechanism of the oxidation of acetylene on a Ag surface: dipped adcluster model study, THEOCHEM, 462, 1999, pp. 29-40
Mechanism of the hydrogenation of CO2 to methanol on a Cu(100) surface: dipped adcluster model study
Authors:
Hu, ZM
Takahashi, K
Nakatsuji, H
Citation: Zm. Hu et al., Mechanism of the hydrogenation of CO2 to methanol on a Cu(100) surface: dipped adcluster model study, SURF SCI, 442(1), 1999, pp. 90-106
Authors:
Lintuluoto, M
Nakatsuji, H
Hada, M
Kanai, H
Citation: M. Lintuluoto et al., Theoretical study of the decomposition of HCOOH on an MgO(100) surface, SURF SCI, 429(1-3), 1999, pp. 133-142
Authors:
Hu, ZM
Nakatsuji, H
Citation: Zm. Hu et H. Nakatsuji, Adsorption and disproportionation reaction of OH on Ag surfaces: dipped adcluster model study, SURF SCI, 425(2-3), 1999, pp. 296-312
Authors:
Xu, X
Lu, X
Wang, NQ
Zhang, QN
Ehara, M
Nakatsuji, H
Citation: X. Xu et al., CASSCF study of bonding in NiCO and FeCO, INT J QUANT, 72(3), 1999, pp. 221-231
Authors:
Nakatsuji, H
Omura, Y
Citation: H. Nakatsuji et Y. Omura, Practical model for low electric field direct-tunnelling current characteristics in nanometer-thick oxide films, ELECTR LETT, 35(23), 1999, pp. 2016-2018
Authors:
Hu, ZM
Nakatsuji, H
Citation: Zm. Hu et H. Nakatsuji, Active sites for methanol synthesis on a Zn/Cu(100) catalyst, CHEM P LETT, 313(1-2), 1999, pp. 14-18
Authors:
Hada, M
Ishikawa, Y
Nakatani, J
Nakatsuji, H
Citation: M. Hada et al., Dirac-Fock calculations of magnetic shielding constants: hydrogen moleculeand hydrogen halides, CHEM P LETT, 310(3-4), 1999, pp. 342-346
Authors:
Ehara, M
Nakata, M
Kou, H
Yasuda, K
Nakatsuji, H
Citation: M. Ehara et al., Direct determination of the density matrix using the density equation: Potential energy curves of HF, CH4, BH3, NH3, and H2O, CHEM P LETT, 305(5-6), 1999, pp. 483-488
Authors:
Nakajima, T
Nakatsuji, H
Citation: T. Nakajima et H. Nakatsuji, Second-order perturbative approximation to the SAC/SAC-CI method, CHEM P LETT, 300(1-2), 1999, pp. 1-8
Authors:
Omura, Y
Nakatsuji, H
Citation: Y. Omura et H. Nakatsuji, Distinctive observation of valence-band electron direct-tunneling current in a nanometer-thick silicon oxide film on monocrystalline silicon, APPL PHYS L, 75(4), 1999, pp. 513-515
Authors:
Hasegawa, J
Ohkawa, K
Nakatsuji, H
Citation: J. Hasegawa et al., Excited states of the photosynthetic reaction center of Rhodopseudomonas viridis: SAC-CI study, J PHYS CH B, 102(50), 1998, pp. 10410-10419
Authors:
Hasegawa, J
Nakatsuji, H
Citation: J. Hasegawa et H. Nakatsuji, Mechanism and unidirectionality of the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: SAC-CI theoretical study, J PHYS CH B, 102(50), 1998, pp. 10420-10430