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Martini, Sheridan R.; Hartzell, Cynthia J. – Journal of Chemical Education, 2015
Computational chemistry is commonly addressed in the quantum mechanics course of undergraduate physical chemistry curricula. Since quantum mechanics traditionally follows the thermodynamics course, there is a lack of curricula relating computational chemistry to thermodynamics. A method integrating molecular modeling software into a semester long…
Descriptors: Science Instruction, Chemistry, Quantum Mechanics, College Science