National Open Research Laboratory of Information and Space Technologies.
The main purpose of activity of the Laboratory - is an ensuring the conduct of the research work on information and space technologies in accordance with the contracts with authorized bodies and subjects of scientific and technological activities.
Copyright 2015 by NORLIST
NORLIST is pleased offer to all interested persons to complex multi-specialized software
• Molecular mechanics: AMBER, UFF, DREIDING;
• Semi-empirical calculations: AM1, PM3, PM6, CNDO, INDO, MINDO/3, MNDO, ZINDO;
• Self-consistent field method (SCF): RHF/UHF, MP2 (MPn), CC, CASSCF, CI, GVB, BD, OVGF;
• Density functional theory (DFT). Exchange functionals: PBE, MPW, PW91, Slater, X-alpha, Gill96, TPSS.;
• ONIOM (QM/MM method) up to three layers;
• Complete active space (CAS) and Multi-configurational self-consistent field calculations;
• Quantum chemistry composite methods - CBS-QB3, CBS-4, CBS-Q, CBS-Q/APNO, G1, G2, G3, W1 high-accuracy methods.;
Gaussian - is a computer program for computational chemistry initially released in 1970 by John Pople and his research group at Carnegie-Mellon University as Gaussian 70. It has been continuously updated since then. The name originates from Pople's use of Gaussian orbitals to speed up calculations compared to those using Slater-type orbitals, a choice made to improve performance on the limited computing capacities of then-current computer hardware for Hartree-Fock calculations. The current version of the program is Gaussian 09. Originally available through the Quantum Chemistry Program Exchange, it was later licensed out of Carnegie Mellon University, and since 1987 has been developed and licensed by Gaussian, Inc.
Gaussian quickly became a popular and widely used electronic structure program. Prof. Pople and his students and post-docs were among those who pushed the development of the package, including cutting-edge research in quantum chemistry and other fields.
Links to the official description of the program.