Unit- 2, 3 Chemistry ComputerM.sc. final year 3rd semester
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Unit 2
Programming for Chemistry-I Problems
Development of small computer codes in C language involving simple formulas in chemistry, such as the Vander Waals equation, ph titration, kinetics and radioactive decay.
Programming for Chemistry-I Problems
Development of small computer codes in C language involving simple formulas in chemistry, such as the Vander Waals equation, ph titration, kinetics and radioactive decay.
Unit 2
Programming for Chemistry Related Problems-II
Evaluation of lattice energy and ionic radii from experimental data. Linear simultaneous equations for solving centuries-old equations within the framework of Huckel's theory.
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