A comparison of approaches to estimate the resonance energy Marcin ZielinskiRemco W. A. HavenithJoop H. van Lenthe Comment Open access 15 August 2010 Pages: 19 - 25
How to properly compute the resonance energy within the ab initio valence bond theory: a response to the ZHJVL paper Yirong MoPhilippe C. HibertyPaul von Ragué Schleyer Reply to Comment 17 August 2010 Pages: 27 - 38
Solvolysis process of organophosphorus compound P-[2-(dimethylamino)ethyl]-N,N-dimethylphosphonamidic fluoride with simple and α-nucleophiles: a DFT study Manoj K. KesharwaniMd. Abdul Shafeeuulla KhanBishwajit Ganguly Regular Article 03 December 2009 Pages: 39 - 47
Theoretical study on the radical–radical reaction mechanism of CH2I + NO2 Xiu-Juan JiaYou-Jun LiuRong-Shun Wang Regular Article 03 December 2009 Pages: 49 - 56
Intramolecular ferromagnetic coupling in bis-oxoverdazyl and bis-thioxoverdazyl diradicals with polyacene spacers Debojit BhattacharyaSuranjan ShilD. J. Klein Regular Article 04 December 2009 Pages: 57 - 67
Mechanistic pathways for the reaction of quercetin with hydroperoxy radical Zoran S. MarkovićJasmina M. Dimitrić MarkovićĆemal B. Doličanin Regular Article 04 December 2009 Pages: 69 - 80
Theoretical study on the singlet and triplet potential energy surfaces of NH (X3Σ−) + HCNO reaction Yang GaoXiu-Juan JiaXiu-Mei Pan Regular Article 06 January 2010 Pages: 81 - 94
Heterogeneous reaction mechanisms of the reduction of nitric oxide on carbon surfaces: a theoretical analysis Ana ArenillasBorja AriasM. Isabel Menéndez Regular Article 11 December 2009 Pages: 95 - 108
