QCPE Bulletin, Volumes 4-6Quantum Chemistry Program Exchange, Department of Chemistry, Indiana University, 1984 - Quantum chemistry |
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Common terms and phrases
Air Force Academy algorithm AMPAC angles announced in Volume atomic spectroscopy basis sets batch files bond CAMD Cartesian CDC Version Chem chemical compiler computational chemistry coordinates D. P. Chong density density matrix Department of Chemistry disk diskettes electron electron affinities Extended Hückel calculation fewer atoms format FORTRAN 77 MICROSOFT FORTRAN 77 VAX GAUSSIAN 80 GEOMO graphics Hartree-Fock IBM Version IBM-PC IBM-PC and compatible included Initio input files interpretation rules J.J.P. Stewart Lines of Code machine matrix method microcomputer MMHELP MMHPC MMIIPC MNDO modified modules MOLDYN molecular geometry Molecular Orbital MOPAC MOSOL MS-DOS OCPE open-shell options original page numbers output package parameterized parameters PC-DOS POLYATOM potential program QCPE PROGRAMS PREVIOUSLY ANNOUNCED QCPE Bull QCPE Bulletin QCPE programs Quantum Chemistry Química referenced to reflect routines Seiler Research Laboratory spectra structure subroutine Symbolic Cards tape tion U.S. Air Force vibrational wave functions