MOPAC Pro 11.0 CD-ROM Edition
by CambridgeSoft
Media: CD-ROM System Reqs: Win 2K, XP, Vista;
ChemBioOffice Ultra 2008, ChemOffice Ultra 2008, BioOffice Ultra 2008, or
ChemOffice Pro 2008 also required
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MOPAC is a general-purpose semiempirical quantum mechanics package for the
study of chemical properties and reactions in gas, solution, or solid-state.
MOPAC is used to directly predict numerous chemical and physical properties,
such as Gibbs free energies, activation energies, reaction paths, dipole
moments, non-linear optical properties, and infrared spectra. It is also used as
the basis of quantitative structure-property (or activity) relationships, to
predict a wide variety of biological and other properties including
cardinogenicity, vapor pressure, water solubility, and reaction rates.
This premier molecular computation application features a number of
widely-used, semi-empirical methods and allows you to compute properties and
perform energy minimizations, optimize to transition states, and compute
properties. It supports MOPAC sparkles, has an improved user interface, and
provides faster calculations.
This product is a CD-ROM Edition. It will be shipped to you on a disk, along
with printed copies of the manual(s). Starting from the purchase date, this
product includes telephone support and updates for 30 days, and email support
for one year.