Advances in Quantum Chemistry
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29

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Published By Elsevier

9780120348374

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CO shakeup calculations with the DV-Xα method

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37009-5 ◽

2000 ◽

pp. 127-137

Author(s):

Akio Shigemi ◽

Hirohide Nakamatsu ◽

Takeshi Mukoyama ◽

Shigero Ikeda

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Embedded cluster models for electronic states of silicate glasses

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37019-8 ◽

2000 ◽

pp. 271-290 ◽

Author(s):

Y. Kowada ◽

D.E. Ellis

Keyword(s):

Electronic States ◽

Silicate Glasses ◽

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Assignment of Ce XANES spectra for CeO2 and CeO1.75 and effect of oxygen vacancy

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37008-3 ◽

2000 ◽

pp. 111-125 ◽

Author(s):

Hirohide Nakamatsu ◽

Takeshi Mukoyama

Keyword(s):

Oxygen Vacancy ◽

Effect Of Oxygen

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Theoretical analysis of X-ray and electron spectra by DV-Xα method

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37002-2 ◽

2000 ◽

pp. 1-29 ◽

Author(s):

Hirohiko Adachi

Keyword(s):

Theoretical Analysis ◽

X Ray ◽

Electron Spectra

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Relativistic density functional calculations for potential energy curves of uranyl nitrate hydrate

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37023-x ◽

2000 ◽

pp. 325-333

Author(s):

Masaru Hirata ◽

Turgut Bastug ◽

Shoichi Tachimori ◽

Rika Sekine ◽

Jun Onoe ◽

...

Keyword(s):

Potential Energy ◽

Uranyl Nitrate ◽

Density Functional Calculations ◽

Density Functional ◽

Potential Energy Curves ◽

Nitrate Hydrate

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The electronic states in Ca-doped BaTiO3 ceramics

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37013-7 ◽

2000 ◽

pp. 179-191 ◽

Author(s):

Myung Chul Chang ◽

Soo-Chang Yu

Keyword(s):

Electronic States

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Bond index and energy partition method for DV-Xα

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37026-5 ◽

2000 ◽

pp. 365-374

Author(s):

Katsurni Nakagawa

Keyword(s):

Energy Partition ◽

Partition Method

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Contributors

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37000-9 ◽

2000 ◽

pp. xi-xiii

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The effect of intrinsic trigonal distortion on the multiplet structures of ruby and emerald

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37007-1 ◽

2000 ◽

pp. 97-110 ◽

Author(s):

Yukiko Ito ◽

Isao Tanaka ◽

Takugo Ishii ◽

Kazuyoshi Ogasawara ◽

Hirohiko Adachi

Keyword(s):

Trigonal Distortion

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A structural study of dibromo(1,4,8,11-tetraazacyclotetradecane)copper(II) and diaqua(1,4,8,11-tetraazacyclotetradecane)copper(II) difluoride four hydrate complexes in crystal and in aqueous solution by X-ray absorption near edge structure measurements and DV-Xα calculations

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(00)37011-3 ◽

2000 ◽

pp. 152-161 ◽

Author(s):

Shuji Matsuo ◽

Toshio Yamaguchi ◽

Hisanobu Wakita

Keyword(s):

Aqueous Solution ◽

Structural Study ◽

Edge Structure ◽

X Ray ◽

X Ray Absorption

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