In Silico studies of Charge Transfer Complexes of Bio-Active molecules

by SHIRISH KUMAR KODADI

Driven by a steady improvement of computational hardware and significant progress in ab initio method development, quantum-mechanical approaches can now be applied to study the charge transfer process between bioactive molecules and the acceptor molecules. Accordingly, using General Atomic and Molecular Electronic Structure System (GAMESS) computations as a package of chem Bio 3D ultra 12.0, charge transfer (CT) complexation between 6-(trifluoromethyl)...

• Format: Paperback
• Language: English
• ISBN: 6202512245
• ISBN13: 9786202512244
• Release Date: March 2020
• Publisher: LAP Lambert Academic Publishing
• Length: 52 Pages
• Weight: 0.20 lbs.
• Dimensions: 0.1" x 6.0" x 9.0"