 |
 |
 |
|
** FOR STUDENT-OWNED MACHINES ONLY **
** NOT FOR USE ON CHROMEBOOKS/CHROME OS OR iPADS/iOS **
Spartan Student Edition provides affordable molecular modeling software that takes advantage of modern computational methods to explore fundamental concepts in general, organic, physical, and inorganic chemistry courses. The graphical interface is based on the latest Spartan release. The computational features are a targeted subset of those in the full Spartan version. Click HERE for a feature comparison. Spartan is used in chemistry education and research at thousands of colleges, universities, government agencies, and commercial sites, worldwide.
Please note: Licensing is intended solely for student purchase for use on Student-owned machines. Licensing is machine locked and cannot be transferred. For installation on campus machines, please visit the Academic License Purchase Page.
Wavefunction may require proof of student status before releasing activation codes. Please use your student email address when ordering.
|
WINDOWS REQUIREMENTS:
|
|
|
|
|
|
MACINTOSH REQUIREMENTS:
|
|
Modern Intel or Athlon Processors (64-bit Only)
|
|
|
|
|
|
Modern Intel-based or M1-based Macintosh (64-bit Only)
|
|
Windows 7, 8.1, or 10
|
|
|
|
|
|
OS X 10.12 (Sierra) - OS X 10.15 (Catalina) and OS11 (Big Sur)
|
|
128 GB disk space or higher
|
|
|
|
|
|
128 GB disk space or higher
|
|
4 GB RAM
|
|
|
|
|
|
4 GB RAM
|
|
|
|
|
|
|
|
|
COMPUTATIONAL METHODS:
|
|
|
|
|
|
|
|
Molecular Mechanics (MMFF with no atom limits)
|
|
|
|
|
|
|
|
Semi-empirical (PM3 up to 75 atoms)
|
|
|
|
|
|
|
|
Hartree-Fock molecule orbital (up to 30 atoms)
|
|
|
|
|
|
NOT AVAILABLE FOR CHROMEBOOKS/CHROME OS
|
|
DFT (B3LYP, EDF2, ωB97X-D up to 30 atoms)
|
|
|
|
|
|
|
Møller Plesset (MP2 up to 20 atoms)
|
|
|
|
|
|
|
T1 thermochemical recipe (up to 20 atoms)
|
|
|
|
|
|
|
|
|
|
 |
|
 |
|
|
|
 |
|
 |
|
Commonly Used Features
| Energy | Determine total energy (Hartree-Fock, DFT, MP2), heat of formation (semi-empirical and T1) or strain energy (molecular mechanics with MMFF94). | | Equilibrium Geometry | Determine closest local minima (equilibrium geometry), same models as above with the exception of T1.
| | Transition State Geometry | Isolate transition-state geometries associated with chemical reactions, same models as above with the exception of MMFF94 and T1. | | Calculate and Plot IR Spectra | Calculate and plot normal-mode vibrational frequencies. Useful in establishing whether or not a geometry corresponds to an energy minimum or to a transition state. | | Calculate and Plot NMR Chemical Shifts | Chemical shifts from B3LYP and EDF2 models. Used in conjunction with experimental NMR to establish/validate a molecule's identity. | | Energy Profiles | Scan one or more geometrical coordinates. Used to locate a transition state along a reaction coordinate and to analyze conformational energy changes. | | Equilibrium Conformer | Search conformational space to determine the global minimum from among a molecule's possible conformations (MMFF94). | | Conformer Distribution | Search conformational space to return a collection of low energy conformers (MMFF94).
| Molecular Orbitals
| Highest Occupied and Lowest Unoccupied molecular orbitals (and additional MO's, including an orbital energy diagram).
| Graphical Models
| Electrostatic Potential Maps, Local Ionization Potential Maps, |LUMO| Maps, and Spin Density Maps.
| Spreadsheets and Plotting
| Spreadsheets available for data organization (includes linear regression module), IR, NMR, and custom plots available.
|
|
|
|
|
|
|
|
