Henry Rzepa

Chemistry with a twist

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Connections in chemistry. Anti-malaria drug ↔ organocatalysis.

Thursday, July 5th, 2012

Tags: MPEG, Peter Schreiner, Skolnik
Posted in Chemical IT, Historical, Interesting chemistry | 3 Comments »

Computers 1967-2011: a personal perspective. Part 3. 1990-1994.

Tuesday, July 12th, 2011

Tags: 3D graphics, antimalarial, antimalarial pharmaceutical molecule, chemical, co-processor, Florida, Gainesville, George Purvis, Halofantrine, haptic device, HTML, Macintosh, Mike Webb, Ohio, Oxford, pharmaceutical, Richard Counts, security guard, tangled web, Tektronix, United Kingdom, United States, university computing services, University of Florida
Posted in Chemical IT, Historical, Interesting chemistry | 3 Comments »

Déjà vu all over again. Are H…H interactions attractive or repulsive?

Tuesday, May 31st, 2011

Tags: 9-anthranyl, Cambridge, disorder, Julia Contreras-Garcia, X-ray
Posted in Interesting chemistry | 1 Comment »

Déjà vu: Pirkle for a third time!

Wednesday, May 25th, 2011

Tags: energy, Julia Contreras-Garcia
Posted in Interesting chemistry, Tutorial material | 1 Comment »

Non-covalent interactions (NCI): revisiting Pirkle

Thursday, July 15th, 2010

Tags: Interesting chemistry, Julia Contreras-Garcia, watoc11
Posted in Interesting chemistry | 3 Comments »

How do molecules interact with each other?

Sunday, April 12th, 2009

Tags: energy, free energy, interaction energy, Interesting chemistry, X-ray
Posted in Interesting chemistry | 7 Comments »

  • Recent Posts

    • How should one represent the anion of TosMIC?
    • Another Woodward pericyclic example dissected: all is not what it seems.
    • Woodward’s symmetry considerations applied to electrocyclic reactions.
    • Au and Pt π-complexes of cyclobutadiene.
    • The π-complex theory of metal-alkene compounds.
  • Recent Comments

    • Ryan on Woodward’s symmetry considerations applied to electrocyclic reactions.
    • Henry Rzepa on Woodward’s symmetry considerations applied to electrocyclic reactions.
    • Henry Rzepa on Solid carbon dioxide: hexacoordinate carbon?
    • Ryan on Woodward’s symmetry considerations applied to electrocyclic reactions.
    • Ryan on The mechanism of ester hydrolysis via alkyl oxygen cleavage under a quantum microscope
  • Popular Posts

    1. The mystery of the Finkelstein reaction
    2. Mechanism of the reduction of a carboxylic acid by borane: revisited and revised.
    3. Anatomy of an arrow-pushing tutorial: reducing a carboxylic acid.
    4. A comparison of left and right handed DNA double-helix models.
    5. The conformation of 1,2-difluoroethane
    6. The conformation of cyclohexane
    7. Longer is stronger.
    8. The melting points from benzene to cyclohexane: a prime example of dispersion forces in action?
    9. Oxime formation from hydroxylamine and ketone: a (computational) reality check on stage one of the mechanism.
    10. Can a cyclobutadiene and carbon dioxide co-exist in a calixarene cavity?
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