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II. Program for calculating triply degenerate Raman bands of spherical tops with an adaptation for infrared bands

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Mendeley Data2023-02-23 更新2024-06-26 收录
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Title of program: VIBROT II Catalogue Id: AAGE_v1_0 Nature of problem The program VIBROT II calculates the triply degenerate vibration- rotation bands of spherical top molecules in the gas-phase infrared or Raman spectrum. It is thus the analogue of the program VIBROT I (CPC 1 (1970) 349) for symmetric top molecules and will be useful for band analysis in spherical tops in a corresponding way to VIBROT I for symmetric tops. ADAPTATION SUMMARY: Vol:Year:Page 2:1971:88 "0001ADAPT VIBROT II FOR INFRARED" "II. Program for calculating triply degenerate Raman ban ... Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAGE_v2_0; FORTRAN VIBROT II; 10.1016/0010-4655(71)90006-3 AAGE_v1_0; VIBROT II; 10.1016/0010-4655(71)90018-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

程序名称:VIBROT II 目录编号:AAGE_v1_0 问题本质 程序VIBROT II用于计算气相红外或拉曼光谱中球形顶分子的三重简并振转带。它是针对对称顶分子的程序VIBROT I(CPC 1 (1970) 349)的对应程序,其在球形顶分子谱带分析中的应用价值,与VIBROT I针对对称顶分子的谱带分析作用相当。 改编摘要: 卷号:年份:页码:2:1971:88 "0001ADAPT VIBROT II FOR INFRARED" "II. Program for calculating triply degenerate Raman ban ..." 注:改编说明包含于源代码中。 本程序在曼德莱数据(Mendeley Data)的CPC程序库中存有以下版本: AAGE_v2_0;FORTRAN VIBROT II;10.1016/0010-4655(71)90006-3 AAGE_v1_0;VIBROT II;10.1016/0010-4655(71)90018-X 本程序源自贝尔法斯特女王大学所藏的CPC程序库(1969-2019)
创建时间:
2019-12-18
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