A computer program was written in FORTRAN and BASIC languages for calculating enthalpy changes of complex formation in solution from direct calorimetric measurements. The program (ES5CM) can deal with any system in which mononuclear, polynuclear, protonated, hydroxo, mixed metal or mixed ligand complexes are formed. Particular attention has been paid to the robustness of the algorithm and to the possibility of using the program ES5CM with different machines, including small personal computers. Some test systems were used to check the efficiency of the program, and execution times for different machines are reported.
Computer Analysis of Equilibrium Data in Solution. ES5CM Fortran and Basic Programs for Computing Formation Enthalpies from Calorimetric Measurements
DE ROBERTIS, Alessandro;DE STEFANO, Concetta;
1986-01-01
Abstract
A computer program was written in FORTRAN and BASIC languages for calculating enthalpy changes of complex formation in solution from direct calorimetric measurements. The program (ES5CM) can deal with any system in which mononuclear, polynuclear, protonated, hydroxo, mixed metal or mixed ligand complexes are formed. Particular attention has been paid to the robustness of the algorithm and to the possibility of using the program ES5CM with different machines, including small personal computers. Some test systems were used to check the efficiency of the program, and execution times for different machines are reported.File in questo prodotto:
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