Semiempirical and ab initio Calculations of Charged Species Used in the Physical Organic Chemistry Course.

Gilliom, Richard D.

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Peer reviewed

ERIC Number: EJ387853

Record Type: Journal

Publication Date: 1989

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Semiempirical and ab initio Calculations of Charged Species Used in the Physical Organic Chemistry Course.

Gilliom, Richard D.

Journal of Chemical Education, v66 n1 p47-50 Jan 1989

Concentrates on the semiempirical methods MINDO/3, MNDO, and AMI available in the program AMPAC from the Quantum Chemistry Program Exchange at Indiana University. Uses charged ions in the teaching of computational chemistry. Finds that semiempirical methods are accurate enough for the general use of the bench chemist. (MVL)

Descriptors: Chemical Analysis, Chemistry, College Science, Computer Uses in Education, Course Content, Instructional Materials, Laboratories, Organic Chemistry, Physical Sciences, Science Experiments, Science Instruction, Teaching Methods, Undergraduate Study

Publication Type: Journal Articles; Reports - Descriptive; Guides - Classroom - Teacher

Education Level: N/A

Audience: N/A

Language: English

Sponsor: N/A

Authoring Institution: N/A

Grant or Contract Numbers: N/A

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