Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect

Varandas AJC.; Viegas LP.

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Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect

机译：三氢异构体的锥态和几何相效应的判据

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We report calculations of the vibrational spectrum of muH(2)/HD/DT as well as D-3 in their first-excited electronic state, both with the inclusion of the geometric phase effect and without including it. The results show that, especially for muHD and muDT, it plays a minor role for the first 30 vibrational levels of such systems. This can be rationalized from the tilting of the C-3-axis due to mass effects. A simple phenomenological criterion for the relative role of the GP effect in tri-hydrogen isotopomers has been suggested. (C) 2002 Elsevier Science B.V. All rights reserved. [References: 35]

机译：我们报告了muH（2）/ HD / DT以及D-3在其第一激发电子状态下的振动谱计算，包括几何相位效应和不包括几何相位效应。结果表明，特别是对于muHD和muDT，在此类系统的前30个振动级别中，它的作用较小。由于质量效应，可以通过C-3-轴的倾斜来合理化。已经提出了GP效应在三氢同位素异构体中的相对作用的简单现象学标准。（C）2002 Elsevier Science B.V.保留所有权利。 [参考：35]

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《Chemical Physics Letters》 |2003年第6期|共8页
作者
Varandas AJC.; Viegas LP.;
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正文语种 eng
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Vibrational-spectrum; Conical intersection; Nuclear-dynamics; Wave-functions; Crossing seam; H-3; Vicinity; Hd2; H+d-2-gt; hd+d; Surfaces;

机译：振动光谱;圆锥相交;核动力学;波函数;横缝;H-3;附近;Hd2;H + d-2- hd + d;表面;

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1. Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect [J] . Varandas AJC., Viegas LP. Chemical Physics Letters . 2003,第5a6期

机译：三氢异构体的锥态和几何相效应的判据
2. Geometric phases in graphitic cones [J] . Furtado C, Moraes F, Carvalho AMDM Physics Letters, A . 2008,第32期

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3. DOUBLE-CONE PROBLEM REVISITED - EFFECT OF THE GEOMETRIC PHASE ON THE BROAD SEMICLASSICAL RESONANCES [J] . Nikitin EE. The Journal of Chemical Physics . 1997,第17期

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4. The Synthesis of the Tritium, C-14 and Stable Labeled Isotopomers of 2-(4- Methoxyphenyl)-3-4-(2-piperidin-l-ylethoxy)-phenoxybenzo-b-thiophen-6-ol Hydrochloride Salt (LY353381, Arzoxifene) and the Stable Labeled Isotopomer of Its O-Des-Methyl Me [C] . Michael C. Spence, Ronald J. Lantz, Thomas J. Lindsay, International Symposium on the Synthesis and Applications of Isotopes and Isotopically Labelled Compounds . 2004

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5. Vibronic structure and rotational spectra of radicals in degenerate electronic state. Case of hydroxymethyl radical and asymmetrically deuterated isotopomers (methoxy isotopomers). [D] . Stakhursky, Vadim Leonidovich. 2005

机译：简并电子态自由基的振动学结构和旋转光谱。羟甲基自由基和不对称氘化的同位素（甲氧基同位素）的情况。
6. Geometric Mixing Peristalsis and the Geometric Phase of the Stomach [O] . Jorge Arrieta, Julyan H. E. Cartwright, Emmanuelle Gouillart, -1

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7. Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect [O] . Varandas A. J. C., Viegas L. P. 2003

机译：三氢异构体的锥态和几何相效应的判据

Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect

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