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Search Results: Records 1-20 displayed on this page of 52

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Journal Articles

Wettability of pure metals with liquid sodium and liquid tin

Saito, Junichi; Kobayashi, Yohei*; Shibutani, Hideo*

Materials Transactions, 62(10), p.1524 - 1532, 2021/10

https://doi.org/10.2320/matertrans.MT-M2021107
 Times Cited Count：5 Percentile：41.35(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

Wettability of pure metals with liquid sodium and liquid tin

Saito, Junichi; Kobayashi, Yohei*; Shibutani, Hideo*

Nihon Kinzoku Gakkai-Shi, 85(3), p.110 - 119, 2021/03

https://doi.org/10.2320/jinstmet.J2020042
 Times Cited Count：1 Percentile：8.06(Metallurgy & Metallurgical Engineering)

Journal Articles

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

Kido, Kentaro; Kasahara, Kento*; Yokogawa, Daisuke*; Sato, Hirofumi*

Journal of Chemical Physics, 143(1), p.014103_1 - 014103_9, 2015/07

https://doi.org/10.1063/1.4923007
 Times Cited Count：5 Percentile：14.86(Chemistry, Physical)

Journal Articles

Exit interaction effect on nascent product state distribution of O($$^{1}$$D)+N$$_{2}$$O$$rightarrow$$NO+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：25.17(Chemistry, Physical)

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：8.65(Chemistry, Physical)

no abstracts in English

Journal Articles

A Quantum reactive scattering study of the spin-forbidden CH(X$$^{2}Pi$$)+N$$_{2}$$(X$$^{1}Sigma_{g}^{+}$$)$$rightarrow $$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：30.29(Chemistry, Physical)

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：77.42(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：9.19(Chemistry, Physical)

no abstracts in English

Journal Articles

A Unified scheme for ${it ab initio}$ 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：119 Percentile：95.29(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$$_{2}$$O$$rightarrow$$NO+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：41.27(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：72 Percentile：89(Chemistry, Physical)

no abstracts in English

Journal Articles

Production processes of H(D) atoms in the reactions of NO(A$$^{2}Sigma^{+}$$) with C$$_{2}$$H$$_{2}$$, C$$_{2}$$H$$_{4}$$, H$$_{2}$$O and their isotopic variants

Umemoto, Hironobu*; Terada, Naoki*; Tanaka, Kunikazu*; Takayanagi, Toshiyuki; Kurosaki, Yuzuru; Yokoyama, Keiichi

Chemical Physics, 259(1), p.39 - 47, 2000/09

https://doi.org/10.1016/S0301-0104(00)00184-1
 Times Cited Count：9 Percentile：27.49(Chemistry, Physical)

no abstracts in English

Journal Articles

Ab initio calculations for the N($$^{2}$$D)+CH$$_{4}$$ reaction; Does the N($$^{2}$$D) atom really insert into CH bonds of alkane molecules?

Takayanagi, Toshiyuki; Kurosaki, Yuzuru; Yokoyama, Keiichi

International Journal of Quantum Chemistry, 79(3), p.190 - 197, 2000/09

https://doi.org/10.1002/1097-461X(2000)79:3<190::AID-QUA4>3.0.CO;2-0
 Times Cited Count：11 Percentile：49.22(Chemistry, Physical)

no abstracts in English

Journal Articles

Theoretical study of kinetic isotope effects on rate constans for the H$$_{2}$$+C$$_{2}$$H$$rightarrow$$H+C$$_{2}$$H$$_{2}$$ reaction and its isotopic variants

Kurosaki, Yuzuru; Takayanagi, Toshiyuki

Journal of Chemical Physics, 113(10), p.4060 - 4072, 2000/09

https://doi.org/10.1063/1.1288173
 Times Cited Count：22 Percentile：55.85(Chemistry, Physical)

no abstracts in English

Journal Articles

Ab initio molecular orbital study of potential energy surface for the H$$_{2}$$NO($$^{2}$$B$$_{1}$$)$$rightarrow$$NO($$^{2}$$$$Pi$$)+H$$_{2}$$ reaction

Kurosaki, Yuzuru*; Takayanagi, Toshiyuki

Journal of Molecular Structure; THEOCHEM, 507(1-3), p.119 - 126, 2000/07

no abstracts in English

Journal Articles

Ab initio molecular orbital study of the C$$_{2}$$H$$_{4}$$+Cl$$_{2}$$$$rightarrow$$C$$_{2}$$H$$_{4}$$Cl$$_{2}$$ reaction

Kurosaki, Yuzuru*

Journal of Molecular Structure; THEOCHEM, 503(3), p.231 - 240, 2000/05

no abstracts in English

Journal Articles

Cyanomethylene formation from the reaction of excited nitrogen atoms with acetylene; A Crossed beam and ab initio study

Balucani, N.*; Algia, M.*; Cartechini, L.*; Casavecchia, P.*; Volpi, G. G.*; Sato, K.*; Takayanagi, Toshiyuki; Kurosaki, Yuzuru*

Journal of the American Chemical Society, 122(18), p.4443 - 4450, 2000/05

https://doi.org/10.1021/ja993448c
 Times Cited Count：77 Percentile：87.95(Chemistry, Multidisciplinary)

no abstracts in English

Journal Articles

Ab initio molecular orbital calcualtions of potential energy surfaces for the N($$^{4}$$S, $$^{2}$$D, $$^{2}$$P)+H$$_{2}$$ reactions

Takayanagi, Toshiyuki; Kurosaki, Yuzuru; Yokoyama, Keiichi

Chemical Physics Letters, 321(1-2), p.106 - 112, 2000/04

https://doi.org/10.1016/S0009-2614(00)00329-8
 Times Cited Count：24 Percentile：58.73(Chemistry, Physical)

no abstracts in English

Journal Articles

Theoretical study of an isotope effect on rate constants for the CH$$_{3}$$+H$$_{2}$$$$rightarrow$$CH$$_{4}$$+H and CD$$_{3}$$+H$$_{2}$$$$rightarrow$$CD$$_{3}$$H+H reactions using variational transition state theory and the multidimensional semiclassical tunneling method

Kurosaki, Yuzuru*; Takayanagi, Toshiyuki

Journal of Chemical Physics, 110(22), p.10830 - 10842, 1999/06

https://doi.org/10.1063/1.479025
 Times Cited Count：20 Percentile：53.61(Chemistry, Physical)

no abstracts in English

52 (Records 1-20 displayed on this page)