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• catalog contributor b11003024.
• catalog contributor b11003025.
• catalog contributor b11003026.
• catalog contributor b11003027.
• catalog contributor b11003028.
• catalog contributor b11003029.
• catalog created "c1997.".
• catalog date "1997".
• catalog date "c1997.".
• catalog dateCopyrighted "c1997.".
• catalog description "Foreword / L. Kövér -- Twenty to thirty years of DV-Xα calculations : a survey of accuracy and applications / Arne Rosén -- Electronic state calculation of transition metal cluster / Hirohiki Adachi -- The nature of the chemical bond in hydrogen storage compounds / H. Yukawa and M. Morinago -- Use of the DV-Xα method in the field of superheavy atoms / B. Fricke ... [et al.] -- Electronic structures of metal carbides TiC and UC : similarity and dissimilarity / Rika Sekine ... [et al.] -- Numerical psuedopotentials within DV-Xα framework / Gennady L. Gutsev -- Density functional theory for excited states / Ágnes Nagy -- Theoretical calculation of molecular photoelectron spectrum by the first-principles DV-Xα molecular orbital method / Hirohiki Adachi --".
• catalog description "Includes bibliographical references and index.".
• catalog description "The electronic structure of silicon clusters / Hitoshi Kimura ... [et al.] -- Studies of the valence band of tetrahedral oxyanions / I. Cserny -- Application of the embedded cluster method to the electronic state of silicate glasses / Y. Kowada and D.E. Ellis -- Bond strength and thermal stability of transition metal nitrides / Masao Takahashi ... [et al.] -- Electronic states of impurities and their effect on material properties / Kimichika Fukushima and Hiroshi Endo -- Electronic states of oxygen ions of molten slags used for iron and steel making / Masao Morishita ... [et al.] --".
• catalog description "X-Ray emission in molecules / Takeshi Mukoyama, Kazuo Taniguchi, and Hirohiko Adachi -- DV-Xα calculation of X-Ray emission spectra / Jun Kawai -- X-ray absorbtion near edge structure study and DV-Xα calculations on some square-planar copper(II) complexes with macrocyclic ligands / Seiichi Yamashita ... [et al.] -- Scattered-wave description of inner-shell processes in small molecules and clusters / Eberhard Hartmann and Christa Lauterbach -- Resonant orbital rearrangement during F 1s is ionization or decay process / M. Uda, T. Yamamoto, T. Takenaga -- Charge transfer in Al-Ni alloys : a spin-selective study / Zs. Kovács, L. Kövér, and H. Adachi -- Core-electron binding energy shifts in aluminum / G. Paragi, I.K. Gyémánt, and Zs. Varga -- Analysis of core-hole effect in cation L₂,₃-edge of MgO, α-Al₂O₃ and SiO₂ based on DV-Xα cluster calculations / Kazuyoshi Ogasawara, Isao Tanaka, and Hirohiko Adachi -- Concluding remarks / M. Uda.".
• catalog extent "xvi, 481 p. :".
• catalog identifier "0120348292".
• catalog isPartOf "Advances in quantum chemistry ; v. 29".
• catalog issued "1997".
• catalog issued "c1997.".
• catalog language "eng".
• catalog publisher "San Diego, Calif. : Academic Press,".
• catalog subject "Electronic structure Congresses.".
• catalog subject "QD453 .A28 vol. 29".
• catalog subject "Quantum chemistry Congresses.".
• catalog tableOfContents "Foreword / L. Kövér -- Twenty to thirty years of DV-Xα calculations : a survey of accuracy and applications / Arne Rosén -- Electronic state calculation of transition metal cluster / Hirohiki Adachi -- The nature of the chemical bond in hydrogen storage compounds / H. Yukawa and M. Morinago -- Use of the DV-Xα method in the field of superheavy atoms / B. Fricke ... [et al.] -- Electronic structures of metal carbides TiC and UC : similarity and dissimilarity / Rika Sekine ... [et al.] -- Numerical psuedopotentials within DV-Xα framework / Gennady L. Gutsev -- Density functional theory for excited states / Ágnes Nagy -- Theoretical calculation of molecular photoelectron spectrum by the first-principles DV-Xα molecular orbital method / Hirohiki Adachi --".
• catalog tableOfContents "The electronic structure of silicon clusters / Hitoshi Kimura ... [et al.] -- Studies of the valence band of tetrahedral oxyanions / I. Cserny -- Application of the embedded cluster method to the electronic state of silicate glasses / Y. Kowada and D.E. Ellis -- Bond strength and thermal stability of transition metal nitrides / Masao Takahashi ... [et al.] -- Electronic states of impurities and their effect on material properties / Kimichika Fukushima and Hiroshi Endo -- Electronic states of oxygen ions of molten slags used for iron and steel making / Masao Morishita ... [et al.] --".
• catalog tableOfContents "X-Ray emission in molecules / Takeshi Mukoyama, Kazuo Taniguchi, and Hirohiko Adachi -- DV-Xα calculation of X-Ray emission spectra / Jun Kawai -- X-ray absorbtion near edge structure study and DV-Xα calculations on some square-planar copper(II) complexes with macrocyclic ligands / Seiichi Yamashita ... [et al.] -- Scattered-wave description of inner-shell processes in small molecules and clusters / Eberhard Hartmann and Christa Lauterbach -- Resonant orbital rearrangement during F 1s is ionization or decay process / M. Uda, T. Yamamoto, T. Takenaga -- Charge transfer in Al-Ni alloys : a spin-selective study / Zs. Kovács, L. Kövér, and H. Adachi -- Core-electron binding energy shifts in aluminum / G. Paragi, I.K. Gyémánt, and Zs. Varga -- Analysis of core-hole effect in cation L₂,₃-edge of MgO, α-Al₂O₃ and SiO₂ based on DV-Xα cluster calculations / Kazuyoshi Ogasawara, Isao Tanaka, and Hirohiko Adachi -- Concluding remarks / M. Uda.".
• catalog title "Electronic structure of clusters / guest editors, Laszlo Kövér, Jun Kawai, Hirohiko Adachi.".
• catalog type "Conference proceedings. fast".
• catalog type "text".