Subject: Titan Now Shipping

From: Schrodinger Info account <[email-masked]>
Date: Tue, 7 Sep 1999 15:47:05 -0700

Schrodinger and Wavefunction jointly announce the release of Titan, 
which seamlessly integrates the high performance computations of Jaguar 
and the visualization and ease-of-use of Spartan.

Titan allows any chemist to:

- Construct complex organic, organometallic and inorganic molecules.  
Obtain transition states from an extensive reaction database. 

- Perform calculations with a wide range of computational methods
including molecular mechanics, semi-empirical methods, Hartree-Fock, 
DFT, and LMP2. Pseudospectral techniques make Titan 2-4 times faster 
than conventional programs for Hartree-Fock and density functional 
calculations and 1-2 orders of magnitude faster for LMP2 calculations 
(when compared to conventional MP2 calculations). 

- Display multiple model styles.  Calculate properties, volumes and 
surface areas.  Present dramatic 3D isosurface and 2D slice displays of 
electronic properties.  Organize and analyze results in a spreadsheet.

- Drive coordinates to simulate chemical reactions, search conformation 
space, determine equilibrium and transition-state geometries, and 
evaluate normal-mode vibrational frequencies.

For more information, or to request a demo CD, please contact us at:

Wavefunction, Inc.                      Schrodinger, Inc.
(949)955-2120                           (503)299-1150
(949)955-2118 fax                       (503)299-4532 fax
[email-masked]                       [email-masked]
http://www.wavefun.com                  http://www.schrodinger.com