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Thermo

Thermo provides a Web-Services graphic-user-interface for calculating thermodynamic properties, namely Enthalpy H, Entropy S, and Heat Capacity Cp of molecular species as functions of the temperature using the standard statistical thermodynamic method.

Source:  CSE-Online

Features

Server-based Thermo tool

  1. Support gas-phase molecular species
  2. Treatment for internal hindered rotations
  3. Results can be written in CHEMKIN format.  It requires heat of formation data.

GUI features

  1. Input data can be extracted from Gaussian output or FCHK file or be entered directly by users
  2. View input/output using JPad
  3. Plot thermodynamic properties as functions of the temperature
  4. Submit request to the server-based tool on the CSE-Online server using synchronous Web-Services

Thermo Snapshot:

Thermo.gif

 

Topic attachments
I Attachment Action Size Date Who Comment
gifgif Thermo.gif manage 22.9 K 26 Jun 2006 - 16:26 ManoharNayak Thermo GUI
Topic revision: r6 - 30 Jun 2006 - 19:32:59 - ThanhTruong
 
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