Vibrational analysis and ionization potentials of XCH3 (X=Be, Mg, Ca) calculated by hybrid density functional theory and high order ab initio methods.

被引：0

作者：

Jalbout, AF ^{[1
]}

机构：

[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2001年 / 222卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

305-PHYS

引用

页码：U223 / U224

页数：2

共 36 条

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[36] Ab initio Insight of the Electronic, Structural, Mechanical and Optical Properties of X3\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_3$$\end{document}P2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document} (X= Mg, Ca) from GGA and Hybrid Functional (HSE06)
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Journal of Superconductivity and Novel Magnetism, 2022, 35 (1) : 79 - 86

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