Wavefunction Announces Spartan Physical Chemistry

Irvine, CA - August 15, 2005. Wavefunction, Inc., leading producer of chemistry education and research software, announces the release of a new student-use molecular modeling application for both Windows and Macintosh environments: Spartan Physical Chemistry.

The Physical Chemistry Edition provides many of the same computational models as the full "research" version of Spartan, but with limitations on molecular size appropriate for the physical chemistry curriculum. In addition to Hartree-Fock models, correlated B3LYP (density functional) and MP2 models are supported, enabling high-accuracy calculations of equilibrium and transition state geometries, reaction and activation energies, dipole moments and infrared spectra among other quantities. This new edition incorporates Spartan's renowned graphical user interface, allowing students to build organic, inorganic and organometallic molecules, perform calculations and analyze results with just a few clicks of the mouse.

Development of the Spartan Student Physical Chemistry program coincides with the release of Benjamin-Cummings' new four-color text, Physical Chemistry, by Thomas Engel and Philip Reid of the University of Washington. This text includes a computational chemistry chapter, provided by Wavefunction’s CEO, Warren Hehre. In keeping with the authors' focus on applications and research, this chapter highlights computation as a means to learn and explore physical chemistry. The "hands-on" problems in this chapter can be done with any computational chemistry program providing Hartree-Fock and correlated models, and are fully supported by the Spartan Student Physical Chemistry Edition.

The Spartan Student Physical Chemistry Edition provides a unique tool for integrating molecular modeling and computational chemistry into the physical chemistry curriculum. Learn more about this new program at www.wavefun.com.

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.

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