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Molecules
Millsian 2.0 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.
Simple Molecules

Hydrogen (H 2) |

Water (H 2O) |

Methane (CH 4) |
Organic Molecules

Ethane |

Benzene |

Fumaric Acid
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Drug Molecules

Strychnine |

Lipitor
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Morphine |
Large Biomolecules

DNA (Video) |

Insulin (Video) |

RNA |
Organometallics & Coordinate Compounds
Ferrocene |

Vanadium Hexacarbonyl |

Triethylaluminum |
Other Molecule Classes

Allotropes of Carbon
C60 Fullerene
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Boron Molecules
Tetramethyldiboron |
2SiO)3_t.png)
Silicon Molecules
((CH 3) 2SiO) 3 |
Reaction Sequences
Note: Reaction sequences are under
development in Millsian software.

Cl- CH3Cl Bound Complex and Transition State (Video)
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Extended Solids:
Note: Extended solids are under
development in Millsian software.

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