Calculation of quantum-mechanical Descriptors for QSPR at the DFT level: Is it necessary?
Author(s): Puzyn T (Puzyn, Tomasz), Suzuki N (Suzuki, Noriyuki), Haranczyk M (Haranczyk, Maciej), Rak J (Rak, Janusz)
Publication year: 2008
Journal / Book title: JOURNAL OF CHEMICAL INFORMATION AND MODELING
Excerpt from the article:
Image
...
Image
