Introduction to Computational Chemistry
Who this book is for
Prerequisites
1
What is Computational Chemistry?
1.1
Computable properties
1.1.1
Geometries
1.1.2
Orbitals
1.1.3
Charges
1.1.4
Vibrational modes
1.1.5
Reaction pathways
1.1.6
Thermodynamic quantities
1.1.7
Many more
2
Literature
3
Methods
4
Applications
4.1
Example one
4.2
Example two
5
Final Words
References
Published with bookdown
Introduction to Computational Chemistry
Chapter 4
Applications
Some
significant
applications are demonstrated in this chapter.
4.1
Example one
4.2
Example two