Links to "supramolecular" books, structures , webpages,
and programs for equilibrium  calculations

Books / monographs

Effective Radii and Energy Increments for Intermolecular Interactions


Supramolecular Structures etc:

Supramolecular Structures!

3D Molecules (Supramol Chem., Steed- Atwood)!

Cambridge Crystallographic Database CSD Licence required required , free tutorials etc

chemVISU (Fribourg) Visualization of molecules and chemical reactions. Free!

("Brookhaven") Protein data bank Free! or

imb Image library of biological macromolecules Free!

ExPASy (Expert Protein Analysis System,Swiss- Protein, etc) free!

Nucleic Acid database NDB Free!

Pharmaka / 400.000 drugs 3D database, use Free!
to discover novel active compounds, use of 3D distance keys etc

Smell database Free!

CH-pi interactions Free!


Stability constants

Database of binding constants for cyclodextrin complexes
(Supplementary material from Kenneth A. Connors J.Pharm.Sci 1995, 84, 843:  at: Links/download

NIST Critical Stability Constants (metal complexes + pK), based on Martell and Smith:

IUPAC Stability Constants (metal complexes + pK):
PC databank:

Programs for equilibrium constant calculations:

EQUILIBRATE: (for 1:1 eq. , including Scatchard, Kinetics, Graphic  Free!

BIOKIN: (mostly enzyme kin, but als non-trivial equilibria; academic use Free!)


General fitting and graphing programs, particular good graphical output ,
necessary to write in equations,  for e.g. simple 1:1 stochiometries:

SPECFIT: (very powerful for  equilibria and kinetics, incl. factor analysis etc , only demo free)

DATAN: (multicomponent reactions, incl. PCA etc, free trial)


CHEAQS: (includes database, mostly inorganic material)

MATHTREK: ( particular for  thermodynamics, Lite version almost free)




Who's Who of Dendrimer Research (mostly US groups)
see also

Links to Research Groups in Lanthanide & Transition Metal
Chelates/Luminescence, Photochemistry, Photophysics, Synthesis:

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