Výsledky vyhledávání - "Morokuma, Keiji"

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Nearly Exclusive Growth of Small Diameter Semiconducting Single-Wall Carbon Nanotubes from Organic Chemistry Synthetic End-Cap Molecules

Autor: Liu, Bilu, Liu, Jia, Li, Hai-Bei, Bhola, Radha, Jackson, Edward A., Scott, Lawrence T., Page, Alister, Irle, Stephan, Morokuma, Keiji, Zhou, Chongwu

Publikováno v: Nano Letters, 2015, 15, 586-595

The inability to synthesize single-wall carbon nanotubes (SWCNTs) possessing uniform electronic properties and chirality represents the major impediment to their widespread applications. Recently, there is growing interest to explore and synthesize w

Externí odkaz: http://arxiv.org/abs/1412.5974

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R-matrix calculation of integral and differential cross sections for low-energy electron impact excitations of N2 molecule

Autor: Tashiro, Motomichi, Morokuma, Keiji

Publikováno v: Phys.Rev.A75:012720,2007

Low-energy electron impact excitations of N$_2$ molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Thirteen target electronic states of N$_2$ are included in the model within a valen

Externí odkaz: http://arxiv.org/abs/physics/0612203

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R-matrix calculation of differential cross sections for low-energy electron collisions with ground and electronically excited state O2 molecules

Autor: Tashiro, Motomichi, Morokuma, Keiji, Tennyson, Jonathan

Publikováno v: Phys.Rev.A74:022706,2006

Differential cross sections for electron collisions with the O$_2$ molecule in its ground ${X}^{3}\Sigma_g^-$ state, as well as excited ${a}^{1}\Delta_g$ and ${b}^{1}\Sigma_g^+$ states are calculated. As previously, the fixed-bond R-matrix method bas

Externí odkaz: http://arxiv.org/abs/physics/0606128

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R-matrix calculation of electron collisions with electronically excited O2 molecules

Autor: Tashiro, Motomichi, Morokuma, Keiji, Tennyson, Jonathan

Publikováno v: Phys.Rev.A73:052707,2006

Low-energy electron collisions with O$_2$ molecules are studied using the fixed-bond R-matrix method. In addition to the O$_2$ ${X}^3\Sigma_{g}^-$ ground state, integrated cross sections are calculated for elecron collisions with the ${a}^1\Delta_{g}

Externí odkaz: http://arxiv.org/abs/physics/0604098

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