3D CHEMISTRY

Numeric data ressources by Eric Henon and Cyrille Collard - URCA - Région CA

 (Flash player plugin is needed)


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Organic Molecules

3D structures of a set of common organic functions for teaching and learning purposes: Alcohols, Ethers, Aldehydes, Ketones, ...About one hundred examples are made available. Molecules can be rotated.

 


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Organic Reactions

3D animations of organic reactions for teaching and learning purposes. About 15 reaction types are currently available: Diels-Alder, Nucleophilic substitution, Elimination, Bromination, Cyclisation, Umbrella inversion, ...The simulations were obtained using molecular modeling software: after reaction path calculations, a flash document was built for each reaction showing the energy profile. The transition state can also be rotated.


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Biomolecules

3D structures elements of biomolecules for teaching and learning purposes. A list of 20 aminoacids (pKa values and the isoelectronic point are also given). Primary, secondary,... structural aspects of proteins. Nucleotide bases, DNA, RNA. Molecules can be rotated.


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Orbitals

A selection of interactive atomic and molecular 3D orbitals. Molecular orbital (MO) diagrams of O2 and N2 molecules. Orbitals can be rotated. Animated illustration of bonding MO formation.


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Molecular Dynamics

Molecular dynamics illustrations of atomic-scale phenomena for use in education. Addressed fields are chemistry, physical-chemistry, and biochemistry: hydrogen bonds, solvation cage, hydrophobe/hydrophilic concepts, protein lock and key phenomena ...


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Crystals

Here we present the most important crystal structures. Mouse rotable 3D models can be used. 3D animations illustrate significant concepts such as motif, unit cell repeated periodically in three dimensions, arrangement of atoms in the crystal. Lattice parameters are given.


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VSEPR

3D illustration of geometric considerations used within the VSEPR (Valence Shell Electronic Pairs Repulsion) model. The molecular geometries derived from the AXnEm method (AX4, AX5E, ...) are shown and can be interactively rotated.