Cooperativity in multiple unusual weak bonds Ibon AlkortaFernando BlancoDavid Quiñonero Feature Article 25 November 2009 Pages: 1 - 14
Theoretical study on the structures, isomerization and stability of SiC4 isomers Hao SunHongwei GongXuri Huang Regular Article 27 December 2009 Pages: 15 - 25
Theoretical study in gas phase of linear and nonlinear optical properties of the ortho-, meta- and para-nitrophenol isomers Johan UrdanetaYaneth BermúdezHumberto Soscún Regular Article 18 November 2009 Pages: 27 - 37
DFT study of the electronic, vibrational, and optical properties of SnO2 Pablo D. BorgesLuisa M. R. ScolfaroEronides F. da Silva Jr. Regular Article 10 November 2009 Pages: 39 - 44
Phenomenological chemical reactivity theory for mobile electrons Mauricio Gonzalez-SuarezArie AizmanRenato Contreras Regular Article 10 November 2009 Pages: 45 - 54
Computational methods for analysis of an unsaturated carbocycle: heptafulvene Ingo B. AumüllerJari Yli-Kauhaluoma Regular Article 13 November 2009 Pages: 55 - 73
Counterpoise corrected interaction energies are not systematically better than uncorrected ones: comparison with CCSD(T) CBS extrapolated values Juan Raul Alvarez-IdaboyAnnia Galano Regular Article 13 November 2009 Pages: 75 - 85
Theoretical study of the competitive decomposition and isomerization of 1-hexyl radical Feng WangDong Bo CaoYong Wang Li Regular Article 24 November 2009 Pages: 87 - 98