From e77cc376aaff8ca481fdace6d5795c5b5feb0e87 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 20 Feb 2012 14:45:20 +0100 Subject: Added pc descriptor calc service --- java/docs/feature/ConjElectroTopolState.html | 173 +++++++++++++++++++++++++++ 1 file changed, 173 insertions(+) create mode 100644 java/docs/feature/ConjElectroTopolState.html (limited to 'java/docs/feature/ConjElectroTopolState.html') diff --git a/java/docs/feature/ConjElectroTopolState.html b/java/docs/feature/ConjElectroTopolState.html new file mode 100644 index 0000000..bc0369e --- /dev/null +++ b/java/docs/feature/ConjElectroTopolState.html @@ -0,0 +1,173 @@ +

Descriptor

Conjugated electrotopological state

Conjugated electrotopological state [wz03,wfz04b]. +

Equation 1. Conjugated electrotopological state

+I_i is the intrinsic state of atom i () +and k the distance influence. The distance influence is reduced by the conjugated topological distance +

Equation 2. Conjugated topological distance

+where C_i is the conjugated atom i () +of the molecule.

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