The Use of Atomic Charges and Orbital Energies as Hydrogen-bonding-donor Parameters for QSAR Studies: Comparison of MNDO, AM1 and PM3 Methods

• 作者TARAVAT GHAFOURIAN; JOHN C. DEARDEN
• 卷第52卷
• 期第6期
• 印刷ISSN2042-7158
• 文件大小91.31KB
• 发表时间2000
• DOI10.1211/0022357001774435
• 页码603-610