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Peer reviewedMeyer, Edgar F., Jr. – Journal of Chemical Education, 1978
A computer program is described for identification of chiral centers in molecules. Essential input to the program includes both atomic and bonding information. The program does not require computer graphic input-output. (BB)
Descriptors: Biochemistry, Chemical Bonding, Chemistry, Computer Programs
Peer reviewedCox, Philip J. – Journal of Chemical Education, 1982
The application of molecular mechanics (a nonquantum mechanical method for solving problems concerning molecular geometries) to calculate force fields for n-butane and cyclohexane is discussed. Implications regarding the stable conformations of the example molecules are also discussed. (Author/SK)
Descriptors: Chemical Bonding, Chemistry, College Science, Computer Programs
Peer reviewedPeake, Barrie M.; Grauwmeijer, Roger – Journal of Chemical Education, 1981
Describes a Simple Huckel Molecular Orbital (SHMO) computer program written in BASIC and suitable for use on a variety of common microcomputers. (SK)
Descriptors: Chemistry, College Science, Computer Oriented Programs, Computer Programs
