Geometric structure and torsional potential of biisothianaphthene. A comparative DFT and ab initio study

Chemical Compounds

• Torsional Potential 82%
• Rotational Barrier 48%
• Density Functional Theory 35%
• Conformational Isomer 33%
• Conformational Potential 31%
• Hartree-Fock Method 26%
• Electronic Property 15%
• Optical Property 13%

Engineering & Materials Science

• Density functional theory 85%
• Conformations 48%
• Electronic properties 29%
• Optical properties 23%
• Structural analysis 19%
• Crystals 18%
• Geometry 11%

Medicine & Life Sciences

• Density Functional Theory 100%