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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 Poster
Functional Groups of Chemistry
Image | PDF

Simple Molecules

H2
Hydrogen (H2)
H2O
Water (H2O)
Methane
Methane (CH4)

Organic Molecules

Ethane
Ethane
Benzene
Benzene
fumaric acid
Fumaric Acid

Drug Molecules

Strychnine
Strychnine
Lipitor
Lipitor
Morphine
Morphine

Large Biomolecules

DNA
DNA (Video)
Insulin
Insulin (Video)
RNA
RNA

Organometallics & Coordinate Compounds

Ferrocene
Ferrocene
vanadium hexacarbonyl
Vanadium Hexacarbonyl
triethylaluminum
Triethylaluminum

Other Molecule Classes

C60
Allotropes of Carbon
C60 Fullerene

tetramethyldiborane
Boron Molecules

Tetramethyldiboron

Silicon Molecules

((CH3)2SiO)3

Reaction Sequences

Note: Reaction sequences are under development in Millsian software.

CCl Complex
Cl- CH3Cl Bound Complex and Transition State (Video)

 

Extended Solids:

Note: Extended solids are under development in Millsian software.

Hydrides
Alkali Hydrides

(Lithium Hydride)

Lithium Metal
Alkali Metals
(Lithium Metal)

Si Semiconductor
Semiconductor Bond
(Silicon)
Si Superconductor
Superconductor Bond
(Idealized)




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