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
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.
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.