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

Chemical Compounds

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

Engineering & Materials Science

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

Medicine & Life Sciences

• Density Functional Theory 100%