# Molforce — A computer program for calculation of molecular force constants using the generalized inverse matrix

Published: 1 January 1985| Version 1 | DOI: 10.17632/mns5g2rv4p.1

Contributor:

Barbara Gellai

## Description

Title of program: MOLFORCE Catalogue Id: AABG_v1_0 Nature of problem The program calculates the molecular force constants, i.e. the elements of the potential energy matrix F and their dispersions, ... CORRECTION SUMMARY: Vol:Year:Page 39:1986:447 "000A CORRECTION 29/01/86" "MOLFORCE: a computer program for calculation of molecular force constants using the generalized inverse matrix. (C.P.C. 36(1985)177)." B. Gellai Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AABG_v1_0; MOLFORCE; 10.1016/0010-4655(85)90122-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

## Files

## Categories

Physical Chemistry, Molecular Physics, Computational Physics