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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 Data2026-04-18 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 VIBROT II程序用于计算气相红外或拉曼光谱中球形陀螺分子的三重简并振转谱带。其为针对对称陀螺分子的VIBROT I程序(《计算机物理学报》(CPC) 1(1970) 349)的对应工具,可如同VIBROT I服务于对称陀螺分子那般,辅助球形陀螺分子的谱带解析工作。 适配摘要: 卷:年份:页码:2:1971:88 "0001适配红外版本的VIBROT II" "二、用于计算三重简并拉曼谱带的程序……"(原文此处存在截断) 备注:适配说明包含于源代码中。 本程序在Mendeley数据的CPC程序仓库中留存的版本如下: AAGE_v2_0; FORTRAN语言编写的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馆藏的CPC程序库(1969-2019)。

创建时间:
1971-01-01
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