<?xml version="1.0" encoding="utf-8" standalone="yes"?><rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom"><channel><title>first-principles calculations | Prof. Jin Zhao's research group</title><link>http://hefei-namd.org/tag/first-principles-calculations/</link><atom:link href="http://hefei-namd.org/tag/first-principles-calculations/index.xml" rel="self" type="application/rss+xml"/><description>first-principles calculations</description><generator>Wowchemy (https://wowchemy.com)</generator><language>en-us</language><lastBuildDate>Mon, 01 Jun 2020 00:00:00 +0000</lastBuildDate><image><url>http://hefei-namd.org/media/icon_hu894b1105e70c9ad126c252346115789f_13553_512x512_fill_lanczos_center_3.png</url><title>first-principles calculations</title><link>http://hefei-namd.org/tag/first-principles-calculations/</link></image><item><title>Halogen Modified Two-Dimensional Covalent Triazine Frameworks as Visible-light Driven Photocatalysts for Overall Water Splitting</title><link>http://hefei-namd.org/publication/fu-scc-2020/</link><pubDate>Mon, 01 Jun 2020 00:00:00 +0000</pubDate><guid>http://hefei-namd.org/publication/fu-scc-2020/</guid><description/></item><item><title>First-principles Study of Fluorine Substitution on Two-dimensional Germanane</title><link>http://hefei-namd.org/publication/hu-jo-pcm-2014/</link><pubDate>Fri, 01 Aug 2014 00:00:00 +0000</pubDate><guid>http://hefei-namd.org/publication/hu-jo-pcm-2014/</guid><description/></item></channel></rss>