Getting Móilín
Started
Introduction
Moilin Tutorials
Building and optimizing BF3
Building, optimizing
and displaying the Lone Pair in SF4
Reacting BF3
+ NH3
MultiWFN actions automated in Moilin
3c-2e bonding in diborane, B2H6,
using Orca / MultiWFN / Chimera.
Calculating
Energy v.s. Distance Curves for F2 and "He2"
Calculating a bond
rotation energy profile for 1,2-Dibromoethane
Plotting Molecular Orbitals
Plotting the Molecular Orbitals of
Ferrocene
Ferrocene MOs using Orca / MultiWFN /
Chimera
OCTET
Rule and Hypervalence. ELF
Basin analysis of PCl5 PPh5 etc
Calculating Oxidation State
using LOBA using Orca / MultiWFN
Plotting ElectroStatic Potential
Surface and using Hirshfeld charges Orca/ MultiWFN /VMD
Using
Orca to calculate UV-visible, IR and Raman Spectra
Molecular fitting (Fit 2 or more molecules)