​
Slide
1
of
10

Visualizing Potential Energy Surfaces to
Deepen Chemical Understanding

Jason Sonnenberg, PhD (he/him, they/them)
Wolfram|Alpha Chemistry Team
​
Slide
2
of
10

Possible Outside Perception

Significant Digits

Compute the mass of 25 mL of water in the 100 mL beaker using the same balance:
In[]:=
Quantity[Around[77.020,0.001],"Grams"]-Quantity[Around[51.034,0.001],"Grams"]
Out[]=
(25.9860
±
0.0014
)
g
The uncertainty has increased by the expected factor of
2
for two measurements made on a balance with uncertainty δ:
In[]:=
Quantity[Around[
m
final
,δ],"Grams"]-Quantity[Around[
m
initial
,δ],"Grams"]
Out[]=

m
final
-
m
initial
±
2
2
δ

g

Chemical Conversions

Convert 1.159 grams of aluminum trichloride to millimoles:
In[]:=
ChemicalConvertChemicalInstance
aluminum chloride
CHEMICAL
,Quantity[Around[1.159,0.001],"Grams"],"Millimoles"
Out[]=
ChemicalInstance
aluminum chloride
,
(8.693
±
0.008
)
mmol

​
Slide
3
of
10

It’s All About Electrons

​
Reaction Step:
1
2
Chemical Formulas:
​
Slide
4
of
10

A Molecular Family of Functions

​
Slide
5
of
10

Potential Energy Surfaces: Diatomic Molecules

​
Slide
6
of
10

Water: One-Dimensional PES

​
Slide
7
of
10

Water: Two-Dimensional PES

​
Slide
8
of
10

Water: Three-Dimensional PES

​
Slide
9
of
10

Tools for Chemical Learning Spaces

​
Slide
10
of
10

Further Information

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