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molecular structure

F uncti on a l group s oF ch em istry

s o l v ed w i t h t h e gr a n d u n i f i e d t h e or y of c l a s s i c a l p h y s i c s . g e n e r a t e d w i t h M i l l s i a n 2 . 0 s o f tw a r e
the atoM the cheMical bond
This classical model of the molecular bond shows the electron as a prolate spheroidal shell of charge with the nuclei of the bonded atoms at each focus. The charge increases at the ends, closer to the nuclei, which makes bonding favorable. Molecular bonds bridge between atomic orbital shells. The exact geometry and charge distribution profile of each bond is shown. 0 1 e /2 Methane ethane water acetylene
3p 3s

Here, the atom types and bond orders are clearly shown.

group additivity
According to this theory, electrons are localized in molecules to functional groups which act as building blocks, or discrete units, in larger structures. The structures and energies of the majority of important groups of chemistry have been individually solved, allowing molecules of arbitrary size and complexity to be modeled almost instantly on a personal computer. For more information, visit www.Millsian.com.


Bonds are shown as three dimensional connections between atom types.

2p 2s 1s




Bonds are shown as intersections between spheres representing bonded atoms.

This classical model of the atom shows the electron as a spherical shell of charge, completely surrounding the nucleus. Multielectron atoms contain concentric spherical shells for each atomic orbital. Classical laws govern the radii and energy of these shells.

hydrogen (h2)

Bonds are shown as prolate spheroidal surfaces of negative charge. Exact shape, size, and charge distribution profile is shown.

priMary atoM of group




group class alcohols propanol exaMple Molecule naMe amines (1) propanaMine thiols propane thiol silanes diMethylsilane alkyl Fluorides fluoropropane nucleic acid sequences deoxyribose nucleic acid

linear alkanes propane


branched alkanes isobutane

ethers ethyl Methyl ether

amines (2) ethyl Methyl aMine

sulFides ethyl Methyl sulfide

silanes trisilane

alkyl chlorides chloropropane


alkenes propene

aldehydes acetaldehyde

alkyl nitriles acetonitrile

disulFides ethyl Methyl disulfide


alkyl bromides broMopropane

conjugated alkenes 1,3-butadiene

carboxylic acids acetic acid

amides acetaMide

sulFoxides ethyl Methyl sulfoxide

phosphines triMethyl phosphine

alkyl iodides iodopropane

chroMiuM hexacarbonyl


alkynes 1-propyne

ketones acetone

nitro alkanes nitropropane

sulFones ethyl Methyl sulfone

phosphine oxides triMethyl phosphine oxide

diboranes diborane

drug molecules Morphine

aromatics benzene

acid esters Methyl acetate

alkyl nitrites propyl nitrite

sulFites ethyl Methyl sulfite

phosphites triMethyl phosphite

polycyclic aromatics quinoline

acid anhydrides acetic anhydride

alkyl nitrates propyl nitrate

sulFates ethyl Methyl sulfate

phosphates triMethyl phosphate

borane polyhedrons Methyldecaborane

allotropes oF carbon c60 fullerene

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