Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About
0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | a | b | c | d | e | f | g | h | i | j | k | l | m | n | o | p | q | r | s | t | u | v | w | x | y | z

   |<      <<      >>     > |    


MNDO calculated minimum energy structure for tetralithiocorannulene dimer.

MNDO calculations of potential precursors for intramolecular cycloaddition. Molecular orbitals have been plotted with PERGRA.

MNDO energy diagram for the reaction of carbon monoxide with hydroxide to form formate.

MNDO energy diagram for the reaction of carbon monoxide with methoxide to form methyl formate.

MNDO Enthalpies of Formation for the Homoallylic System 33 34 35

MNDO heat of formation hypersurface for singlet vinyl nitrene rearrangements to 2H-azirine, ketene imine and the thermodynamically most favorable isomer, acetonitrile.

MNDO optimized geometries for pyrazole

MNDO optimized structure of the icosahedral fullerene. The view along a C3 axis emphasizes the localization of curvature at the pentagons.

MNDO SCF MO computed relative heats of formation for various conformers of diphenyl carbonate as a model for the polycarbonate chromophore .

MNDO structure of a water dimer

MNDO total energies and sequences of the 6 lowest MNDO eigenvalues for H3CS-C C-SCH3 depending on its dihedral angle co 86 with the PE spectroscopic ionization pattern.

MNDO vs. Experimental Heavy-Atom Bond Distances

MNDO vs. Experimental Skeletal Bond Angles

MNDO-computed effects of complexation of acetaldehyde by BF3.

MNDO-optimized parameters.

MNDOC-CI results for 20 -pyramidalized trimethylene

MNDOC-CI results for carbene

MNDOC-CI results for ethylene

MNDOC-CI results for tetramethylene a state energies and b SOC values as a function of the CCCC dihedral angle y and the CCC valence angle 0 .

MNDOC-CI results for torsion in ethylene

MNDOC-CI results for trimethylene

Mnemonic device for predicting enantiofacial selectivity in the AD process

Mnemonic device for prediction of the asymmetric dihydroxylation selectivity

Mnemonic device for the AD of olefins .

Mnemonic device for the Sharpless AD of olefins.



   |<      <<      >>     > |    

SEARCH



© 2024 chempedia.info