Generalized hybrid orbital for the treatment of boundary atoms in combined quantum mechanical and molecular mechanical calculations using the semiempirical parameterized model 3 method

✍ Scribed by Mireia Garcia-Viloca; Jiali Gao

• Publisher: Springer
• Year: 2003
• Tongue: English
• Weight: 305 KB
• Volume: 111
• Category: Article
• ISSN: 1432-2234
• DOI: 10.1007/s00214-003-0512-9