Physical Chemistry 1. Unit Conversion 2. ToptiCalc is TOPTICA Photonics scientific calculator specially designed for use in optics laboratories. 3. Database for molecular properties : CCCBDB. 4. Plot a graph with slider: DESMOS 4. Octave ; an online portal to perform analysis (similarities with MATLAB) 4. 4. 4.
Computational Chemistry (TIPS and TRICKS)
1. DGDZVP basis set can be used for Iodine containing molecules or complexes. Performing calculation at this basis set gives reasonably better results for ATOMS IN MOLECULES (AIM) analysis in comparison to LANL2DZ or other ESP based basis set. AIMAll or Multiwfn programs can be used for AIM analysis.
2. Planning to perform a simple molecular calculation (optimization, frequency, charge etc), see if it is already here.