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		<title><![CDATA[Multiwfn forum / The paper of studying pi electronic structure has been published!]]></title>
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		<description><![CDATA[The most recent posts in The paper of studying pi electronic structure has been published!.]]></description>
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			<title><![CDATA[The paper of studying pi electronic structure has been published!]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=813#p813</link>
			<description><![CDATA[<p>The Multiwfn has a powerful capacity of studying pi electronic structure in different ways for both planar and non-planar systems, as described in Section 3.100.22 and illustrated in Section 4.100.22, 4.4.9 and 4.5.3 of Multiwfn manual.</p><p>Recently, I published a paper regarding this topic:<br />A simple method of identifying π orbitals for non-planar systems and a protocol of studying π electronic structure<br />Tian Lu, Qinxue Chen, Theoretical Chemistry Accounts,&#160; 139, 25 (2020) DOI: 10.1007/s00214-019-2541-z<br /><a href="https://link.springer.com/article/10.1007%2Fs00214-019-2541-z" rel="nofollow">https://link.springer.com/article/10.10 … 019-2541-z</a></p><p>in which the algorithm of identifying pi electrons for any kind of system and studying their characteristics is detailedly described, and many interesting research instances are given, I highly recommend Multiwfn users to read this paper.</p><p>In addition, if pi electron analysis module (subfunction 22 of main function 100) of Multiwfn is employed in your work, please not only cite Multiwfn original paper but also cite the aforementioned paper, thanks!</p>]]></description>
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			<pubDate>Tue, 14 Jan 2020 19:13:05 +0000</pubDate>
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