Spartan Student for Universities

 
Starting At: $600.00


Product Code: SPSTUDENTUNIV


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Description Technical Specs
 
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.  Spartan is used in chemistry education and research at thousands of colleges, universities, government agencies, and commercial sites, worldwide.
Commonly Used Features
EnergyDetermine total energy (Hartree-Fock, DFT, MP2), heat of formation (semi-empirical and T1 from database) or strain energy (molecular mechanics).
Equilibrium GeometryDetermine closest local minima (equilibrium geometry).
Transition State GeometryIsolate transition-state geometries associated with chemical reactions.
Calculate and Plot IR SpectraCalculate 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 ShiftsChemical shifts from B3LYP and EDF2 models. Used in conjunction with experimental NMR to establish/validate a molecule's identity.
Energy ProfilesScan one or more geometrical coordinates. Used to locate a transition state along a reaction coordinate and to analyze conformational energy changes.
Equilibrium ConformerSearch conformational space to determine the global minimum from among a molecule's possible conformations.