WebMO

WebMO is a web-based interface to computational chemistry packages. Click on the following link to access our WebMO server: WebMO Login

(Please note, this is a virtualized server. To save resources, the WebMO server may not be kept running at all times.)

If you are a current student or faculty member and have a need to use WebMO, please contact Tom Marcais at tmarcais@wlu.edu to have your account created.

The following calculation types are supported by the current engines we have installed on our WebMO server:

	Engines
Calculation Types	Gamess	Mopac	NWChem	Orca	PQS	PSI	Quantum Espresso	Tinker
Molecular Energy	X	X	X	X	X	X	X	X
Geometry Optimization	X	X	X	X	X	X		X
Vibrational Frequencies	X	X	X	X	X	X	X	X
Thermochemistry		X
Optimize + Vib Freq	X		X	X	X	X		X
Excited States				X
UV-Vis Spectrum	X		X
NMR	X		X	X	X
Optimize + NMR					X
Coordinate Scan		X	X	X	X	X
Molecular Orbitals	X	X	X	X	X	X		X
Natural Bond Orbitals					X
Transition State Optimization	X	X	X	X	X	X		X
Saddle Calculations		X						X
IRC Calculation		X
SAPT						X
Density of States							X
Relaxation							X
Variable-Cell Relaxation							X
Other	X	X	X	X	X		X	X

Instructions for working with WebMO can be found here: https://www.webmo.net/link/help/