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



