Acurasoft Hückel 1.2  

AcuraHückel 1.2    A quantum chemistry  program developed by Acurasoft for the calculation of -electron Molecular Orbitals and -Energy levels in Organic Molecules using Hückel semi-empirical Molecular Orbital Theory. This product is a valuable educational tool in quantum chemistry and organic chemistry courses. Order AcuraHückel Now .

Select Currency ¤
$ USD (US & International)	$ CAD (Canada Only)	€ EUR (Europe)

AcuraHuckel 1.2 Price List
AHMO-A301	1 User	40.00  $ USD

AcuraHuckel 1.2 Price List
AHMO-A301	1 User	45.00  $ CAD

AcuraHuckel 1.2 Price List
AHMO-A301	1 User	30.00  € EUR

Download a Trial Version.

Acura Hückel 1.2 highlights:

• A framework for the calculation of -Molecular Orbitals and -Energy levels for -conjugated Organic Molecules.



• Hückel 1.2 accepts -conjugated systems containing Carbon (1 -electron), Nitrogen (1 or 2 -electrons), Oxygen (1 or 2 -electrons) and other heteroatoms including Boron, Fluorine, Chlorine, Bromine and Methyl group.



• Hückel 1.2 calculates :
  • -MO coefficients (eigen functions)
  
  
  • -electron energy levels (eigen values)
  
  
  • Total -Electronic Energy
  
  
  • -charge densities and -bond orders
  
  
  • Estimated C-C Bond Lengths
  
  
  • Coulson Free-Valence Index
  
  
  • Atom-Atom Polarizability Index
  
  
• Hückel 1.2 input data are simplified to accept only atom's type and connectivities


• Hückel 1.2 accepts neutral molecules and charged species with even or odd number of electrons


• Hückel 1.2 plots MO energy level diagram with electron occupations. The diagram may be enlarged, customized, printed or saved as a JPEG or PNG image file


• You may save Hückel 1.2 input data and the corresponding output (results) for any molecule in ASCII text files

AcuraHückel 1.2 Screen Shots

Click here to view larger image

Click here to view larger image

^® flagship product AcuraCHEM 2.0 is the premium collection of chemical utilities. A powerful chemistry calculator, a chemical problem solver and a comprehensive periodic table of the elements.
No chemist can afford to be without.

AcuraCHEM 2.0

AcuraCHEM 2.0 Online Help

Visit AcuraCHEM 2.0 Online Help Site to browse through the HTML help pages for a detailed description of the various key utilities/tools and their screen shots.

AcuraCHEM 2.0
A premier collection of chemical utilities and tools with a full-featured periodic table of the elements.

AcuraPeriodicTable 2.0
A stand-alone comprehensive Periodic Table of the Elements may be parchased separately.

For freeware/shareware downlaodable programs and utilities, visit our download section ....

Chemistry Resources & Links: