IPPP — A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants

Title of program: IPPP
Catalogue Id: AAFL_v1_0

Nature of problem
The IPPP program calculates NMR spin-spin coupling constants in molecular systems, based on a standard INDO computation, within the RPA (or CHF) approximation solved by the polarization propagator technique. The transmission mechanisms are analyzed by the inner projection of the propagator matrix.

Versions of this program held in the CPC repository in Mendeley Data
AAFL_v1_0; IPPP; 10.1016/0010-4655(86)90097-4

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

程序标题：IPPP

目录编号：AAFL_v1_0

问题性质
IPPP程序基于标准INDO计算，在RPA（或CHF）近似下，通过极化传播子技术求解，用于计算分子系统中的核磁共振自旋-自旋偶合常数。通过传播子矩阵的内投影分析传输机制。

Mendeley数据中CPC仓库中保存的此程序版本
AAFL_v1_0；IPPP；10.1016/0010-4655(86)90097-4

该程序已从贝尔法斯特女王大学（1969-2019）持有的CPC程序库中导入。