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<HTML
><HEAD
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><DIV
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><DIV
CLASS="SECT1"
><H1
CLASS="SECT1"
><A
NAME="JOELIB.DESCRIPTOR"
></A
>Descriptor</H1
><DIV
CLASS="SECT2"
><H2
CLASS="SECT2"
><A
NAME="JOELIB.DESCRIPTORS.CONJELECTROTOPOLSTATE"
></A
>Conjugated electrotopological state</H2
><P
>Conjugated electrotopological state [<A
HREF="bibliography.html#WZ03"
>wz03</A
>,<A
HREF="bibliography.html#WFZ04B"
>wfz04b</A
>].
<DIV
CLASS="EQUATION"
><A
NAME="AEN9"
></A
><P
><B
>Equation 1. Conjugated electrotopological state</B
></P
><DIV
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><P
><IMG
SRC="formulas/cets.gif"
ALIGN="CENTER"></P
></DIV
></DIV
>
<SPAN
CLASS="bold"
><B
CLASS="EMPHASIS"
>I<SUB
>i</SUB
></B
></SPAN
> is the intrinsic state of atom <SPAN
CLASS="bold"
><B
CLASS="EMPHASIS"
>i</B
></SPAN
> ()
and <SPAN
CLASS="bold"
><B
CLASS="EMPHASIS"
>k</B
></SPAN
> the distance influence. The distance influence is reduced by the conjugated topological distance
<DIV
CLASS="EQUATION"
><A
NAME="AEN19"
></A
><P
><B
>Equation 2. Conjugated topological distance</B
></P
><DIV
CLASS="MEDIAOBJECT"
><P
><IMG
SRC="formulas/ctd.gif"
ALIGN="CENTER"></P
></DIV
></DIV
>
where <SPAN
CLASS="bold"
><B
CLASS="EMPHASIS"
>C<SUB
>i</SUB
></B
></SPAN
> is the conjugated atom <SPAN
CLASS="bold"
><B
CLASS="EMPHASIS"
>i</B
></SPAN
> ()
of the molecule.</P
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