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EzReson v1.1.4
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@yangwangmadrid yangwangmadrid released this 23 Aug 03:34
· 38 commits to master since this release
v1.1.4
e200fcd

Apart from some bug fixes, the following major new features are included in the 1.1.4 version:

  1. Enumeration and resonance analysis of Kekulé structures of pi conjugate compounds

  2. A new job type, ENUM, for sole enumeration of all Kekulé structures

  3. Automatic selection of the pi-LMOs using only the keyword PI

  4. Specification of LMOs and atoms using MATLAB colon syntax

Assets 3
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