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Charge groups

Compute the group charges for the CH and CH2 groups with each method for allyl cation using each of the methods from the previous exercise. [Pg.197]

Attempts to form cyclo-adducts with biphenylene have interested a number of research groups. Charge-transfer complexes are formed by... [Pg.53]

Fig. 20 HF/6-31G optimised geometry and changes in group charges (relative to reactants) for the transition state for SN2 displacement of formate from Af-formyloxy-Af-methoxyform-amide 40 by ammonia. Fig. 20 HF/6-31G optimised geometry and changes in group charges (relative to reactants) for the transition state for SN2 displacement of formate from Af-formyloxy-Af-methoxyform-amide 40 by ammonia.
Calculations (Hacker and Kasai 1993) in the framework of extended Hueckel theory found the LUMO of o-diazobenzoquinone to be mainly (up to 60%) localized at the N—N sector. The electronegativity of the o-carbonyl oxygen enhances the acceptor properties of the diazo group. Charge-spin separation is an understandable consequence of the situation. [Pg.164]

See other pages where Charge groups is mentioned: [Pg.415]    [Pg.333]    [Pg.128]    [Pg.26]    [Pg.197]    [Pg.197]    [Pg.299]    [Pg.234]    [Pg.366]    [Pg.28]    [Pg.35]    [Pg.98]    [Pg.55]    [Pg.19]    [Pg.50]    [Pg.51]    [Pg.52]    [Pg.53]    [Pg.54]    [Pg.55]    [Pg.56]    [Pg.57]    [Pg.59]    [Pg.61]    [Pg.73]    [Pg.75]    [Pg.77]    [Pg.128]    [Pg.64]    [Pg.117]    [Pg.247]    [Pg.9]    [Pg.544]    [Pg.127]    [Pg.44]    [Pg.88]    [Pg.256]    [Pg.67]    [Pg.202]    [Pg.69]    [Pg.86]    [Pg.267]   
See also in sourсe #XX -- [ Pg.173 ]

See also in sourсe #XX -- [ Pg.197 ]



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