Quantum Chemistry Program, Exchange QCPE

Note MM-i- is derived from the public domain code developed by Dr. Norm an Allinger, referred to as M.M2( 1977), and distributed by the Quantum Chemistry Program Exchange (QCPE). The code for MM-t is not derived from Dr. Allin ger s present version of code, which IS trademarked MM2 . Specifically. QCMPOlO was used as a starting point Ibr HyperChem MM-t code. The code was extensively modified and extended over several years to include molecular dynamics, switching functuins for cubic stretch terms, periodic boundary conditions, superimposed restraints, a default (additional) parameter scheme, and so on. 

Boyd DB. Profile of computer-assisted molecular design in industry. Quantum Chemistry Program Exchange (QCPE) Bulletin 1985 5 85-91. 

The major source for programs is Quantum Chemistry Program Exchange (QCPE), Department of Chemistry, Indiana University, Bloomington, IN 47405. 

DRAW. Like MOP AC, DRAW is public domain software. Copies can be obtained from the Quantum Chemistry Program Exchange (QCPE) at the University of Indiana. DRAW allows the data input and output to be represented graphically. Because of the difficulty in assembling a valid Z—matrix, DRAW has been provided with an editor which allows a user to see how the geometry of the system changes as the coordinates are changed. 

D. S. Stephenson, G. Binsh, DNMR5, Quantum Chemistry Program Exchange QCPE 365. Modified by ... 

The computer program package MOPAC contains - MINDO/3, MNDO, AMI and PM3 [J.J.P. Stewart, MOPAC - 7.0 A semi-empirical Molecular Orbital Program, Program No 455, Quantum Chemistry Program Exchange (QCPE), Indiana University, Bloomington, IN 47405 USA],... 

Quantum Chemistry Program Exchange (QCPE), Bloomington, IN. 

Computational chemists deal with information. We use computers to calculate numbers and compare our numbers to experimental data, when available. To perform our calculations we need computer programs. In the realm of programs, one of the great boons to theoretical and computational chemists, especially in the earlier days of the field, was the Quantum Chemistry Program Exchange (QCPE). 

An early attempt to formalize the distribution of quantum chemistry software was the Quantum Chemistry Program Exchange (QCPE)24 which was created in 1962 by H. Shull and offered a small collection of some 33 pieces of software. According to the current QCPE web-site24... 

GAUSSIAN 70 Ab initio SCF-MO calculations- on organic molecules, W.J. Hehre, W.A. Latham. R. Ditchfield, M.D. Newton and J.A. Pople, Quantum Chemistry Program Exchange [QCPE], 11 (1973) 236. 

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