MolCalc
New molecule
Help
About
Problems? Submit issues to
github.com/jensengroup/molcalc
Menu
3D
2D
Starting structure
Methane
Benzene
Water dimer
Optimize
Atoms
Turn off atom manipulation
Off
Hydrogen
H
Lithium
Li
Beryllium
Be
Carbon
C
Nitrogen
N
Oxygen
O
Fluorine
F
Sodium
Na
Magnesium
Mg
Aluminium
Al
Silicon
Si
Phosphorus
P
Sulfur
S
Chlorine
Cl
Bromine
Br
Iodine
I
Increase charge of selected atom
+1
Decrease charge of selected atom
-1
Bonds
Turn off bond editing
Off
Break bond
Break
Change Bond type
Single
Change Bond type
Double
Change Bond type
Triple
Starting structure
Methane
Benzene
Water dimer
Atoms
H
Li
Be
C
N
O
F
Na
Mg
Al
Si
P
S
Cl
Br
I
+1
-1
Bonds
Calculate Properties
Get name