THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section09


195. Subroutine FIRST and SECOND for Rate Constant Evaluation

by G. R. Howe, Department of Chemistry, Brock University, St. Catharines, Ontario, Canada

This subroutine package consists of four subroutines: FIRST, SECOND, MULREG, and INVERT.

Subroutine FIRST calculates first-order rate constants. SECOND calculates second-order rate constants, with MULREG and INVERT accomplishing standard linear multiple regression analysis.

FORTRAN IV Lines of Code: 184 Recommended Citation: G. R. Howe, QCPE 11, 195 (1971).



Computational Chemistry List --- QCPE Main --- About This Site