Ab initio quality one-electron properties of large molecules: Development and testing of molecular tailoring approach.
K. BabuShridhar R. GadrePublished in: J. Comput. Chem. (2003)
Keyphrases
- quality assurance
- high quality
- van der waals
- software engineering
- molecular dynamics
- molecular interactions
- software testing
- information processing
- higher quality
- case study
- image quality
- data sets
- development process
- structural properties
- quality measures
- test cases
- software development
- protein structure prediction
- development effort
- source code
- molecular structure
- three dimensional