Reports in Theoretical Chemistryhttps://www.dovepress.com/feed/journal/129New articles released by Dove Press for Reports in Theoretical Chemistryen-us2026, Dove Pressangela@dovepress.com (Angela Jones)Dove Press Reports in Theoretical ChemistryReports in Theoretical Chemistryhttps://www.dovepress.com/feed/journal/129https://www.dovepress.com/assets/img/addon/rss-banner.jpg140140Does ethylene gas collapse on polymerization to polyethylene?https://www.dovepress.com/does-ethylene-gas-collapse-on-polymerization-to-polyethylene-peer-reviewed-fulltext-article-RTCReports in Theoretical ChemistryFri, 18 Mar 2016 16:59:00 +1300https://doi.org/10.2147/RTC.S88807N-heterocyclic carbone: computational prediction of a divalent carbon (0) compoundhttps://www.dovepress.com/n-heterocyclic-carbone-computational-prediction-of-a-divalent-carbon-0-peer-reviewed-fulltext-article-RTCReports in Theoretical ChemistryWed, 14 Oct 2015 14:47:00 +1300https://doi.org/10.2147/RTC.S87013Switching of carbene spin states: effect of hydrogen bond donorshttps://www.dovepress.com/switching-of-carbene-spin-states-effect-of-hydrogen-bond-donors-peer-reviewed-fulltext-article-RTCReports in Theoretical ChemistryMon, 20 Jul 2015 11:33:00 +1200https://doi.org/10.2147/RTC.S83255Evaluating the performance of DFT methods in electric property calculations: sodium chloride as a test casehttps://www.dovepress.com/evaluating-the-performance-of-dft-methods-in-electric-property-calcula-peer-reviewed-fulltext-article-RTCReports in Theoretical ChemistryThu, 11 Jul 2013 00:00:00 +1200https://doi.org/10.2147/RTC.S33059Ab initio calculation of ionization potential and electron affinity of six common explosive compoundshttps://www.dovepress.com/ab-initio-calculation-of-ionization-potential-and-electron-affinity-of-peer-reviewed-fulltext-article-RTCReports in Theoretical ChemistryTue, 13 Nov 2012 00:00:00 +1300https://doi.org/10.2147/RTC.S36686Relative stabilities of two difluorodiazene isomers: density functional and molecular orbital studieshttps://www.dovepress.com/relative-stabilities-of-two-difluorodiazene-isomers-density-functional-peer-reviewed-fulltext-article-RTCReports in Theoretical ChemistryFri, 08 Jun 2012 00:00:00 +1200https://doi.org/10.2147/RTC.S31312