Coming Soon - Spartan'02 for Windows

October 3, 2001 Wavefunction, Inc. announces Spartan'02 for Windows. This product will be part of a new line of software from Wavefunction, which combines high levels of speed and power with an impressive, user-friendly interface. Macintosh version will follow in 2002.

Spartan'02 for Windows allows any chemist to:
Build, display, manipulate and align organic, inorganic and organometallic molecules, polypeptides and polynucleotides. Search the Cambridge Structural Database for transition states or tautomers.

Computational methods include:

  1. SVWN, BP, BLYP and B3LYP density functional for ground and excited states
  2. MP2 and LMP2
  3. CIS and CIS(D) for excited states
  4. SYBYL and MMFF molecular mechanics
  5. AM1, PM3 including parameters for transition metals, MNDO, MNDO/d
  6. Solvation -- AM1-SM5.4 semi-empirical
  7. Hartree-Fock, molecular orbital
  8. STO-3G, 3-21G, 6-31G*, 6-311G*
  9. EDF1 density functional for ground and excited states
  10. MP3 and MP4
  11. CCSD, CCSD(T)
  12. OD, and OD(T)
  13. cc-pVDZ, cc-pVTZ, and cc-pVQZ basis sets
  14. Pseudopotential basis sets for calculations on molecules with heavy elements
General Information:
Wavefunction produces molecular modeling software and publications for both industry and academia. Their applications are used by chemists in research and education at thousands of sites around the world. Wavefunction was founded in 1991 by Dr. Hehre to promote the development and utilization of computational chemistry and molecular modeling in the mainstream chemistry community.

For pricing and additional information, contact:
Wavefunction, Inc.
(949) 955-2120