Molecules

Millsian 2.1 Beta generates lowest-energy conformations and exact charge distribution profiles for molecules. View a list of solved functional groups, or a list of solved compositions of matter. See how our results are verified by rigorous comparison to observed values. Millsian is available to solve specialty functional groups, reaction sequences, and compositions of matter upon request.

See below for molecules rendered with Millsian (click thumbnails to enlarge). For more examples, download a free trial of Millsian software.

Functional Groups

Functional Groups of Chemistry
Image | PDF

Simple Molecules

Hydrogen (H2)

Water (H2O)

Methane (CH4)

Organic Molecules

Ethane

Benzene

Fumaric Acid

Drug Molecules

Strychnine

Lipitor

Morphine

Large Biomolecules

DNA (Video)

Insulin (Video)

RNA

Organometallics & Coordinate Compounds

Ferrocene

Vanadium Hexacarbonyl

Triethylaluminum

Other Molecule Classes

Allotropes of Carbon C60 Fullerene

Boron Molecules Tetramethyldiboron

Silicon Molecules ((CH3)2SiO)3

Reaction Sequences

Note: Reaction sequences are under development in Millsian software.

Cl- CH3Cl Bound Complex and Transition State (Video)

Extended Solids:

Note: Extended solids are under development in Millsian software.

Alkali Hydrides (Lithium Hydride)	Alkali Metals (Lithium Metal)	Semiconductor Bond (Silicon)
Superconductor Bond (Idealized)