iSpartan for Pc

1. A database of 5,000 molecules (a subset of the Spartan Spectra and Properties Database, SSPD) can furthermore be accessed to obtain NMR and IR spectra, molecular orbitals, electrostatic potential maps, and other atomic and molecular properties.

2. Spectra and other properties calculated using quantum mechanics are available for the 5,000 molecules in the database that is included with iSpartan.

3. For common organic molecules, quantum chemistry calculations can be carried out if the Spartan Parallel Suite program is installed (separate product; available for Windows or Macintosh).

4. iSpartan combines the results of density functional calculations (EDF2/6-31G* model) with an empirical correction to obtain highly accurate spectra.

5. iSpartan is a versatile app for molecular modeling on the iPad, iPhone, and iPod Touch.

6. Spartan Parallel Suite also provides access to the full SSPD (> 250,000 molecules) via the iPad, iPhone, or iPod Touch.

7. iSpartan uses the proven MMFF force field and performs conformational searching in real time.

8. The app allows any chemist fast and easy access to computational methods that have proven reliable for a large range of molecules.

9. The heat of formation of most organic molecules can also be estimated using the highly accurate T1 thermochemical recipe.

10. Greater productivity in chemical research through molecular modeling...this is iSpartan.

11. Molecules are created by two-dimensional sketching, analogous to drawing a structure on paper.

12. Liked iSpartan? here are 5 Productivity apps like Google Drive; Microsoft Outlook; Yahoo Mail - Organized Email; HP Smart; Microsoft Word;