INDO is a semi-empirical quantum mechanical program written by Professor
Michael C. Zerner and his colleagues at the University of Guelph in Canada,
and the University of Florida at Gainesville.

BIOSYM Technologies sells ZINDO (discount for academics!) and a user interface
(InsightII).  Users get access to the BIOSYM response center and we market the
latest version from Zerner's group who is contracted with us to send his latest
innovations.

ZINDO produces the usual sort of output, such as energy levels, molecular
orbitals, energies of formation, population analyses, dipole moment, atomic
charges, etc, and is parameterized for the first 30 elements, bromine and
iodine, and the second row transition metals.  The version we presently
offer can handle up to 250 atoms.

BIOSYM's ZINDO offers three SCF types, Restricted Hartree-Fock, Unrestricted
Hartree-Fock, and Restricted Open-shell Hartree-Fock which allows one to model
compounds containing transition metal elements.

There is a wide range of calculation methods available (Extended Huckel, 
Iterative Extended Huckel, CNDO/1 and 2, INDO/1 and 2, PPP, etc) and ZINDO
performs single point energy calculations, optimization calculations (to give
ground or transition states), CI spectra to model uv-vis spectra (singlets,
doublets, etc., Rumer general CI, GUGA CI, Frequency calculations (to
characterize the optimized geometry) and Frequency Optimization calculations
(to Optimize and then do a Frequency calculation).

BIOSYM's ZINDO drives our eigenvector following optimizer which allows the
location of both ground states and transition states and the user may specify
ANY desired combination of distance, angle, or dihedral constraints, as well
as frozen atoms.  This is quite useful for preventing annoying phosphine
ligand inversion during an otherwise routine optimization!  Dummy atoms may
be defined to help with the application of constraints.

Along with this are options to calculate non-linear optical properties alpha,
beta and gamma (static and frequency dependant).  NLO properties arise from
the polarization induced in a material by an intense electric field, which 
arises from the orientationally averaged sum of the induced polarizations of
individual molecules.  The user can apply a static electric field, point
charges, and vary the strength and frequency of the field used during the
NLO calculation.

BIOSYM's ZINDO contains the Kirkwood Onsager's self-consistent reaction field
model for mimicking the effect of solvation, which is particulary useful for
predicting the effects of solvation on stucture and on uv-vis spectra, and
offers both spherical and elliptical cavity shapes.  

If you'd like a free trial contact Julie Bryant here at BIOSYM.

Julie Bryant
BIOSYM Technologies, Inc.             Phone:  619/597-9707
9685 Scranton Road                    Fax:    619/597-9777
San Diego, CA  92121                  E-Mail: julie@biosym.com
USA

Regards to all,

Dr. Max Muir


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