JOPSS - Search Results

Polarized emission spectra from graphite have been measured by an EPMA and discussed by means of molecular orbital calculation of 2p electrons densities of state of graphite by some of the present authors. The present study treats the refined measurements of the polarized C K-emission band spectra from the highly oriented pyrolytic graphite (HOPG) and discusses the structure of the surface carbons of Japanese traditional smoked roof tiles, Ibushi Kawara.

Journal Articles

Exit interaction effect on nascent product state distribution of O( $^{1}$ D)+N $_{2}$ ONO+NO

Kawai, Shinnosuke*; Fujimura, Yo*; Kajimoto, Okitsugu*; Takayanagi, Toshiyuki

Journal of Chemical Physics, 120(14), p.6430 - 6438, 2004/04

https://doi.org/10.1063/1.1649721

Times Cited Count：8 Percentile：25.15(Chemistry, Physical)

no abstracts in English

Journal Articles

Theoretical study of hydrolysis reactions of tetravalent thorium ion

Okamoto, Yasuharu*; Mochizuki, Yuji*; Tsushima, Satoru*

Chemical Physics Letters, 373(1-2), p.213 - 217, 2003/05

https://doi.org/10.1016/S0009-2614(03)00592-X

Times Cited Count：8 Percentile：24.91(Chemistry, Physical)

no abstracts in English

Journal Articles

Comments on relativistic basis sets

Tatewaki, Hiroshi*; Mochizuki, Yuji*

Theoretical Chemistry Accounts, 109(1), p.40 - 42, 2003/01

https://doi.org/10.1007/s00214-002-0412-4

Times Cited Count：23 Percentile：52.35(Chemistry, Physical)

no abstracts in English

Journal Articles

Ab initio study on isotope exchange reactions of H $_{2}$ with surface hydroxyl groups in lithium silicates

Nakazawa, Tetsuya; Yokoyama, Keiichi; Grismanovs, V.*; Katano, Yoshio*; Jitsukawa, Shiro

Journal of Nuclear Materials, 307-311(Part2), p.1436 - 1440, 2002/12

https://doi.org/10.1016/S0022-3115(02)01283-7

Times Cited Count：1 Percentile：10.13(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

Ab initio molecular orbital study of the O( $^{1}$ D) insertion into the C-C bond in cyclopropane and ethane

Kurosaki, Yuzuru; Takayanagi, Toshiyuki

Chemical Physics Letters, 355(5-6), p.424 - 430, 2002/04

https://doi.org/10.1016/S0009-2614(02)00262-2

Times Cited Count：3 Percentile：8.63(Chemistry, Physical)

no abstracts in English

Journal Articles

A Quantum reactive scattering study of the spin-forbidden CH(X $^{2}Pi$ )+N $_{2}$ (X $^{1}Sigma_{g}^{+}$ )HCN(X $^{1}Sigma^{+}$ )+N( $^{4}$ S) reaction

Wada, Akira; Takayanagi, Toshiyuki

Journal of Chemical Physics, 116(16), p.7065 - 7072, 2002/04

https://doi.org/10.1063/1.1461810

Times Cited Count：10 Percentile：30.24(Chemistry, Physical)

no abstracts in English

Journal Articles

Ab initio study on the mechanism of hydrogen release from the silicate surface in the presence of water molecule

Nakazawa, Tetsuya; Yokoyama, Keiichi; Grismanovs, V.*; Katano, Yoshio*; Jitsukawa, Shiro

Journal of Nuclear Materials, 302(2-3), p.165 - 174, 2002/04

https://doi.org/10.1016/S0022-3115(02)00779-1

Times Cited Count：3 Percentile：23.39(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

Theoretical prediction of the lifetime of the metastable helium compound; HHeF

Takayanagi, Toshiyuki; Wada, Akira

Chemical Physics Letters, 352(1-2), p.91 - 98, 2002/01

https://doi.org/10.1016/S0009-2614(01)01436-1

Times Cited Count：42 Percentile：77.35(Chemistry, Physical)

no abstracts in English

Journal Articles

Charge-separation process of the C $_{2}$ H $_{4}$ +Cl $_{2}$ reaction in water; Ab initio molecular orbital study using a cluster model

Kurosaki, Yuzuru

Journal of Physical Chemistry A, 105(49), p.11080 - 11087, 2001/12

https://doi.org/10.1021/jp012420w

Times Cited Count：3 Percentile：9.16(Chemistry, Physical)

no abstracts in English

Journal Articles

Four-component relativistic calculations on the complexes between a water molecule and trivalent lanthanoid and actinoid ions

Mochizuki, Yuji*; Tatewaki, Hiroshi*

Chemical Physics, 273(2-3), p.135 - 148, 2001/11

https://doi.org/10.1016/S0301-0104(01)00483-9

Times Cited Count：23 Percentile：58.76(Chemistry, Physical)

no abstracts in English

Journal Articles

A Unified scheme for molecular orbital theory and path integral molecular dynamics

Shiga, Motoyuki; Tachikawa, Masanori*; Miura, Shinichi*

Journal of Chemical Physics, 115(20), p.9149 - 9159, 2001/11

https://doi.org/10.1063/1.1407289

Times Cited Count：120 Percentile：95.31(Chemistry, Physical)

no abstracts in English

Journal Articles

Reduced dimensionality quantum reactive scattering calculations on the ab initio potential energy surface for the O( $^{1}$ D)+N $_{2}$ ONO+NO reaction

Takayanagi, Toshiyuki; Wada, Akira

Chemical Physics, 269(1-3), p.37 - 47, 2001/07

https://doi.org/10.1016/S0301-0104(01)00357-3

Times Cited Count：14 Percentile：41.25(Chemistry, Physical)

no abstracts in English

Journal Articles

An ab initio study on formation and desorption reactions of H $_{2}$ O molecules from surface hydroxyl groups in silicates

Nakazawa, Tetsuya; Yokoyama, Keiichi; Grismanovs, V.*; Katano, Yoshio*

Journal of Nuclear Materials, 297(1), p.69 - 76, 2001/07

https://doi.org/10.1016/S0022-3115(01)00584-0

Times Cited Count：9 Percentile：56.04(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

Polarizability of silicon clusters

Mochizuki, Yuji; gren, H.*

Chemical Physics Letters, 336(5-6), p.451 - 456, 2001/03

https://doi.org/10.1016/S0009-2614(01)00176-2

Times Cited Count：14 Percentile：41.25(Chemistry, Physical)

no abstracts in English

Journal Articles

HF-STEX and RASSCF calculations on nitrogen K-shell X-ray absorption of purine base and its derivative

Mochizuki, Yuji*; Koide, Hiroshi; Imamura, Toshiyuki; Takemiya, Hiroshi*

Journal of Synchrotron Radiation, 8(Part.2), p.1003 - 1005, 2001/03

no abstracts in English

Journal Articles

Ab initio molecular orbital calculation considering the quantum mechanical effect of nuclei by path integral molecular dynamics

Shiga, Motoyuki; Tachikawa, Masanori*; Miura, Shinichi*

Chemical Physics Letters, 332(3-4), p.396 - 402, 2000/12

https://doi.org/10.1016/S0009-2614(00)01269-0

Times Cited Count：73 Percentile：89.19(Chemistry, Physical)

no abstracts in English

Presentation/Publication Type

Journal/Book Title

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Keyword

Language

Publication Year

Held year of conference

Wettability of pure metals with liquid sodium and liquid tin

Wettability of pure metals with liquid sodium and liquid tin

A Hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids; Multi-center molecular Ornstein-Zernike self-consistent field approach

Evaluation of carbon films on the Japanese smoked roof tile "Ibushi-Kawara" by angle-dependent soft X-ray emission spectroscopy using synchrotron radiation

Exit interaction effect on nascent product state distribution of O( $^{1}$ D)+N $_{2}$ ONO+NO

Theoretical study of hydrolysis reactions of tetravalent thorium ion

Comments on relativistic basis sets

Ab initio study on isotope exchange reactions of H $_{2}$ with surface hydroxyl groups in lithium silicates

Ab initio molecular orbital study of the O( $^{1}$ D) insertion into the C-C bond in cyclopropane and ethane

A Quantum reactive scattering study of the spin-forbidden CH(X $^{2}Pi$ )+N $_{2}$ (X $^{1}Sigma_{g}^{+}$ )HCN(X $^{1}Sigma^{+}$ )+N( $^{4}$ S) reaction

Ab initio study on the mechanism of hydrogen release from the silicate surface in the presence of water molecule

Theoretical prediction of the lifetime of the metastable helium compound; HHeF

Charge-separation process of the C $_{2}$ H $_{4}$ +Cl $_{2}$ reaction in water; Ab initio molecular orbital study using a cluster model

Four-component relativistic calculations on the complexes between a water molecule and trivalent lanthanoid and actinoid ions

A Unified scheme for molecular orbital theory and path integral molecular dynamics

Reduced dimensionality quantum reactive scattering calculations on the ab initio potential energy surface for the O( $^{1}$ D)+N $_{2}$ ONO+NO reaction

An ab initio study on formation and desorption reactions of H $_{2}$ O molecules from surface hydroxyl groups in silicates

Polarizability of silicon clusters

HF-STEX and RASSCF calculations on nitrogen K-shell X-ray absorption of purine base and its derivative

Ab initio molecular orbital calculation considering the quantum mechanical effect of nuclei by path integral molecular dynamics