A scheme for calculating atomic charge distribution in large molecules based on density functional theory and electronegativity equalization

✍ Scribed by Zhong-zhi Yang; Er-zhong Shen; Lu-hong Wang

• Book ID: 114141887
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 509 KB
• Volume: 312
• Category: Article
• ISSN: 0166-1280
• DOI: 10.1016/s0166-1280(09)80029-8