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		<title><![CDATA[Multiwfn forum / Localization of Electron]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=265</link>
		<description><![CDATA[The most recent posts in Localization of Electron.]]></description>
		<lastBuildDate>Wed, 15 Jan 2020 14:25:47 +0000</lastBuildDate>
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			<title><![CDATA[Re: Localization of Electron]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=815#p815</link>
			<description><![CDATA[<p>You can plot ELF or LOL isosurface map to try to identify main occurrence region of valence shell electrons.</p><p>Another suggestion is plotting &quot;valence electron density&quot;, as described in my paper <a href="http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB201709252" rel="nofollow">http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB201709252</a>. You can easily use Multiwfn to plot this kind of map, see Section 4.6.2 of Multiwfn manual for example, what you need to do is setting occupation number of inner-core MOs to zero and then plot electron density map as usual.</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Wed, 15 Jan 2020 14:25:47 +0000</pubDate>
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			<title><![CDATA[Localization of Electron]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=814#p814</link>
			<description><![CDATA[<p>Hi there, I am currently studying the difference in electronic structure of carbenes. Suppose, there are three species, singlet and triplet CH2, and CH3 radical. How can I distinguish the location of the valence shell electron of these species?</p>]]></description>
			<author><![CDATA[dummy@example.com (prasanta13)]]></author>
			<pubDate>Wed, 15 Jan 2020 13:27:24 +0000</pubDate>
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