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The Graphical User Interface. Spartan Student
Physical Chemistry Edition has a single, fully-featured GUI that many
consider to be the best in the business. The Student Version GUI is
based on the easy to use Spartan'04 interface. In very little time,
you can build and manipulate molecules, run molecular mechanics and
quantum chemical calculations, and display results in text output,
tabulated spreadsheet and plots, and in graphical form. |
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Builders and More: |
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Organic
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Accesses a builder for common organic fragments (e.g., "sp3
carbon"), functional groups and rings for easy construction of
organic molecules. |
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Inorganic and
Organometallic |
Extends building throughout the Periodic Table. Includes
a library of common ligands. |
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Structure Refinement |
Allows fast minimization inside the builders using MMFF94 molecular
mechanics. |
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Transition States |
Provides guess for transition states by pattern matching to an extensive
library of precalculated structures. The user needs only to specify
reactant(s) and "reaction arrows". The "fallback"
is the linear synchronous transit method. |
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Student Spartan
Molecular Database |
A library of more than 1,000 commonly encountered molecules is included
with the Spartan Student Physical Chemistry Edition. Automatically
searched when building, available data includes: name, geometry, gas-phase
energy, solvation energy (aqueous), frontier molecular orbitals, dipole
moments, charges, surface area, volume, molecular weight and symmetry.
Data is available at HF, DFT, and MP2 levels. |
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