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[文献書誌] Y.Kumeda: "Theoretical study of nanotube growth in terms of frontier density distribution"Chem. Phys. Lett.. 333. 29-35 (2001)
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[文献書誌] K.Takeda: "Stability of multiply charged anions of lanthanide hexafluorides LnF_6^<2-> and LnF_6^<3-> (Ln=Ce to Lu)"Theochem. 537. 107-115 (2001)
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[文献書誌] Y.Nakao: "Theoretical study of water activation by a cobalt cation : ab initio multiveference theory versus density functional theory"J. Chem. Phys.. 114. 5216-5223 (2001)
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[文献書誌] T.Taketsugu: "An ab initio direct trajectory study of the kinetic isotope effect on the bifurcating reaction"J. Chem. Phys.. 114. 6973-6982 (2001)
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[文献書誌] Y.Nakao: "Theoretical study of first-row transition metal oxide cation"J. Chem. Phys.. 114. 7935-7940 (2001)
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[文献書誌] T.E.Odaka: "Ab initio molecular orbital prediction of the Renner-Teller effect for the excited state ^2TT of MgNC : re-interpretation of the laser-induced fluorescence spectrum based on the predicted spectroscopic constants"J. Chem. Phys.. 115. 1349-1354 (2001)
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[文献書誌] T.Taketsugu: "A variational determination of spin-rovibronic energy levels of MgNC in the A^2TT state"Chem. Phys. Lett.. 340. 385-389 (2001)
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[文献書誌] K.Yagi: "Generation of full-dimensional potential energy surface of intramolecular hydrogen atom transfer in malonaldehyde and tunneling dynamics"J. Chem. Phys.. 115. 10647-10655 (2001)
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[文献書誌] S.S.Itono: "Ab initio study of the ground and two low-lying electronic excited states of FeC"J. Chem. Phys.. 115. 11213-11220 (2001)
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[文献書誌] K.Yagi: "A new analytic form of ab initio potential energy function : an application to H_2O"J. Chem. Phys.. 116. 3963-3966 (2002)
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[文献書誌] T.Taketsugu: "Multireference perturbation study of ClF_4^+"Phys. Chem. Chem. Phys.. (in press). (2002)
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[文献書誌] T.Taketsugu: "Theoretical study of rearrangements in water dimer and trimer"Mol. Phys.. (in press). (2002)