Wednesday, April 29, 2009
Mathematical modeling is the science or art of transforming any macro-scale or microscale problem to mathematical equations. Mathematical modeling of chemical and biological systems and processes is based on chemistry, biochemistry, microbiology, mass diffusion, heat transfer, chemical, biochemical and biomedical catalytic or biocatalytic reactions, as well as noncatalytic reactions, material and energy balances, etc.
This book which has written by Said Elnashaie and Frank Uhlig with the assistance of Chadia Affane
The modules of Molcode ToolBox software consist of internally encoded computational models built on various datasets related to the aforementioned properties. All the models in Molcode Toolbox are specified by model`s name, CAS-number (not obligatory) and systematic name of compounds, (bio)assay, property/activity value and unit, and reference.
visit - http://www.compudrug.com/
This Software is a system to estimate the chemical properties of synthetic material. GAUSSIAN and GAMESS can be used in simulation programs such as PURIPOSUTO. MolWorks is an integrated software tool for molecular design. MolWorks supports a molecular builder and pre/post interface to quantum mechanics calculation software, such as Gaussian, MOPAC and GAMESS. MolWorks also estimates properties of the molecules.MolWorks is programed with Java language.
visit - http://www.molworks.com/en/
Thursday, April 16, 2009
- Experiment with Chemistry safely and independently.
- Supplement classroom exercises to improve understanding.
- Review classroom laboratories in your own home.
- HAVE FUN while you study science.
- A visual aid for your lectures.
- Student homework that is fun, motivating, and insight building.
- A supplement to laboratory exercises
- Opportunities for independent exploration for your highly motivated students.
- Opportunities for thoughtful visualization for your struggling students.