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		<title><![CDATA[Multiwfn forum / on Fukui functions-hirshfeld charge]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=1555</link>
		<description><![CDATA[The most recent posts in on Fukui functions-hirshfeld charge.]]></description>
		<lastBuildDate>Mon, 18 Nov 2024 21:21:25 +0000</lastBuildDate>
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			<title><![CDATA[Re: on Fukui functions-hirshfeld charge]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=4696#p4696</link>
			<description><![CDATA[<p>Dear Sedsil,</p><p>Just put the three files in current folder, boot up Multiwfn and load <strong>any one</strong> of them, then enter main function 22, choose &quot;2 Calculate various quantitative indices&quot; to calculate various indices including condensed Fukui function, or choose &quot;3 Calculate grid data of Fukui function, dual descriptor and related functions&quot; to visualize Fukui function.</p><p>Best,</p><p>Tian</p>]]></description>
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			<pubDate>Mon, 18 Nov 2024 21:21:25 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=4696#p4696</guid>
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			<title><![CDATA[on Fukui functions-hirshfeld charge]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=4695#p4695</link>
			<description><![CDATA[<p>Dear Professor,</p><p>I want to calculate the Fukui indexes by using Multiwfn.&#160; I have independently calculated&#160; N.wfn, N-1.wfn, and N+1.wfn from Multiwfn using Gaussian software. When opening the multiwfn software, which one is the first input file? Secondly, I want to use the files&#160; &quot;N.wfn, N-1.wfn, and N+1.wfn&quot; that I have obtained separately from the multiwfn, which is not interactive with the gaussian software. How can I do ?<br />Could you tell me the necessary steps?<br />Your Sincerely,<br />Sedsil</p>]]></description>
			<author><![CDATA[dummy@example.com (sedsil)]]></author>
			<pubDate>Mon, 18 Nov 2024 15:26:56 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=4695#p4695</guid>
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