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need help:heat capacity and entropy calculation
Rachel Mae Omongos
rachel_mae15@yahoo.com
hello everyone.. my name is Rachel Mae Omongos, a fourth year BS Chemistry student at the MINDANAO STATE UNIVERSITY - ILIGAN INSTITUTE OF TECHNOLOGY here in the PHILIPPINES. I have a subject now, Chem187-Computational Chemistry and our professor gave us a special project and mine was entitled: Heat Capacity and Entropy Calculation from various semiempirical and ab initio methods. Our professor then gave me 5 molecules and one of them was benzene. My question is, can i get those results (the entropy and heat capacity) in the output file without doing any (ballpen and pen) calculations? Are the values of heat capacity and entropy in THERMOCHEMISRTY section in the output file reliable and ready to be reported? please help me with this problem of mine.. thank you so much. more power.
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Thu Oct 22 '09 8:42pm
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