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Peer reviewed Peer reviewed
Mealli, Carlo; Proserpio, Davide M. – Journal of Chemical Education, 1990
A collection of Molecular Orbital (MO) programs that have been integrated into routines and programs to illustrate MO theory are presented. Included are discussions of Computer Aided Composition of Atomic Orbitals (CACAO) and Walsh diagrams. (CW)
Descriptors: Chemical Analysis, Chemistry, College Science, Computer Assisted Instruction
Peer reviewed Peer reviewed
Birk, James P., Ed. – Journal of Chemical Education, 1990
Described are two applications of computers in chemistry. The multilinear equations and procedures used in obtaining a least-squares solution for curve fitting in chemistry are presented. Also discussed is the program "ATORB" which can be used to generate graphs of probable electron clouds for various atoms and molecules. (CW)
Descriptors: Atomic Structure, Chemistry, College Science, Computation