# Category:Mathematical chemistry

From HandWiki

Here is a list of articles in the Mathematical chemistry category of the Chemistry portal. **Mathematical chemistry** (computer chemistry) is the area of research engaged in the novel and nontrivial applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Generally mathematical chemistry (computer chemistry ) is based on graph theory applications for organic chemistry.

## Pages in category "Mathematical chemistry"

The following 29 pages are in this category, out of 29 total.

- Mathematical chemistry
*(chemistry)*

### B

- Alexandru Balaban
*(biography)*

### C

- Car–Parrinello molecular dynamics
*(physics)* - Caterpillar tree
*(computing)* - Chemical graph theory
*(chemistry)* - Chemical reaction network theory
*(chemistry)* - Circuit topology
*(chemistry)*

### D

- Defining equation (physical chemistry)
*(chemistry)*

### E

- Estrada index
*(computing)*

### G

- Ante Graovac
*(chemistry)*

### H

- Hosoya index
*(computing)* - Haruo Hosoya
*(biography)*

### I

- International Academy of Mathematical Chemistry
*(organization)*

### K

- Erica Klarreich
*(biography)* - Sandi Klavžar
*(biography)*

### M

- Molecular descriptor
*(chemistry)* - Molecular graph
*(chemistry)*

### N

- Numerical smoothing and differentiation
*(computing)*

### P

- Padmakar–Ivan index
*(computing)* - Partial cube
*(computing)* - Phase retrieval
*(computing)* - Tomaž Pisanski
*(biography)*

### R

- Randić's molecular connectivity index
*(computing)*

### S

- Szeged index
*(computing)*

### T

- Topological index
*(chemistry)* - Topology
*(chemistry)*

### W

- When Topology Meets Chemistry
*(chemistry)* - Wiener index
*(computing)*

### Z

- Jure Zupan
*(biography)*