Internal Coordinate Couplings and Symmetry Properties: The Search of a Conical Seam in Protonated Oxygen

M.Ceotto; F.A.Gianturco

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Internal Coordinate Couplings and Symmetry Properties: The Search of a Conical Seam in Protonated Oxygen

机译：内部坐标耦合和对称特性：质子化的氧气中的锥形接缝的搜索

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We show by a detailed computational experiment that the three-particle system of protonated oxygen allows use to study the behavior of curve crossings within the Born-Oppenheimer picture in terms of the relative strength of the couplings that exist between the relevant internal coordinates. In particular, we show that the one-and two-parameter seam found in the C_(2v) symmetry are reduced-dimensionality manifestations of an intersection that actually becomes a conical seam in the three-parameters C_s symmetry. We further show, then, that no trifurcation point exists in this case since the expected C_s seam of the AB_2-type systems does not appear in the O_2H~+ species.

机译：我们通过详细的计算实验表明，质子化氧的三粒子系统可以用来研究Born-Oppenheimer图片内曲线交叉的行为，即相关内部坐标之间存在的耦合的相对强度。特别地，我们表明以C_（2v）对称性找到的一参数和二参数接缝是实际上变成三参数C_s对称性的圆锥形接缝的交点的降维表现。然后，我们进一步表明，在这种情况下不存在分叉点，因为AB_2型系统的预期C_s接缝未出现在O_2H〜+物种中。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2001年第21期|共9页
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M.Ceotto; F.A.Gianturco;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Internal Coordinate Couplings and Symmetry Properties: The Search of a Conical Seam in Protonated Oxygen [J] . M.Ceotto, F.A.Gianturco The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2001,第21期

机译：内部坐标耦合和对称特性：质子化的氧气中的锥形接缝的搜索
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8. On Symmetry Properties of Reaction Coordinates. [R] . metiu, horia ross,john 1974

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Internal Coordinate Couplings and Symmetry Properties: The Search of a Conical Seam in Protonated Oxygen

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