The controversy was also noted in 1999 by Chemical and Engineering News (repeated without additional content in 2004), and in 2000, the World Association of Theoretically Oriented Chemists Scientific Board held a referendum of its executive board members on this issue with a majority (23 of 28) approving the resolution opposing the restrictive licenses. These assertions were repeated by Jim Giles in 2004 in Nature.
The anonymous group has published a list of scientists whom it claims are not permitted to use GAUSSIAN software. Some scientists consider these terms overly restrictive.
CHEMDOODLE UCSD SOFTWARE
has attracted controversy for its licensing terms that stipulate that researchers who develop competing software packages are not permitted to use the software. These were unofficial, unverified ports of the program to other computer platforms. Other programs named 'Gaussian XX' were placed among the holdings of the Quantum Chemistry Program Exchange. Gaussian 03, Gaussian 09, Gaussian 16, Gaussian 70, Gaussian 76, Gaussian 80, Gaussian 82, Gaussian 86, Gaussian 88, Gaussian 90, Gaussian 92, Gaussian 92/DFT, Gaussian 94, and Gaussian 98. Quantum chemistry composite methods – CBS-QB3, CBS-4, CBS-Q, CBS-Q/APNO, G1, G2, G3, W1 high-accuracy methods.Quadratic configuration interaction (QCI) methods.Complete active space (CAS) and multi-configurational self-consistent field calculations.ONIOM ( QM/MM method) up to three layers.Correlation functionals: PBE, TPSS, VWN, PW91, LYP, PL, P86, B95.Exchange functionals: PBE, MPW, PW91, Slater, X-alpha, Gill96, TPSS.Built-in density functional theory (DFT) methods.Møller–Plesset perturbation theory (MP2, MP3, MP4, MP5).Hartree–Fock method: restricted, unrestricted, and restricted open-shell.Austin Model 1 (AM1), PM3, CNDO, INDO, MINDO/3, MNDO.Semi-empirical quantum chemistry method calculations.According to the most recent Gaussian manual, the package can do:
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