Thermodynamics of the gas-phase reactions in chemical vapor deposition of silicon carbide with methyltrichlorosilane precursor Juanli DengKehe SuLitong Zhang Regular Article 23 September 2008 Pages: 1 - 22
Quasirelativistic energy-consistent 4f-in-core pseudopotentials for tetravalent lanthanide elements Michael HülsenAnna WeigandMichael Dolg Regular Article 25 September 2008 Pages: 23 - 29
Theoretical studies on electronic structures and spectroscopic properties of a series of novel β-diketonate Os(II) complexes Jian-Po ZhangXin ZhouAu-Chin Tang Regular Article 03 October 2008 Pages: 31 - 42
Ab initio excitation spectrum of the weak H···CO interaction Mary C. SalazarAntonio Jose Hernández Regular Article 07 October 2008 Pages: 43 - 50
The electronic structure of the F2, Cl2, Br2 molecules: the description of charge-shift bonding within the generalized valence bond ansatz André G. H. BarbosaAlvaro M. Barcelos Regular Article 11 October 2008 Pages: 51 - 66
Theoretical study on the reaction mechanism of CH2SH + NO2 Yi-Zhen TangYa-Ru PanRong-Shun Wang Regular Article 22 October 2008 Pages: 67 - 76
A theoretical investigation of intermolecular interaction of a phthalimide based “on–off” sensor with different halide ions: tuning its efficiency and electro-optical properties Shabbir MuhammadChunguang LiuZhongmin Su Regular Article 22 October 2008 Pages: 77 - 86
Ab Initio rovibrational spectrum of the NaH2 + ion–quadrupole complex Alister J. PageEllak I. von Nagy-Felsobuki Regular Article 12 November 2008 Pages: 87 - 100
An evaluation of nitro derivatives of cubane using ab initio and density functional theories Jinshan Li Regular Article 18 November 2008 Pages: 101 - 106
Theoretical studies on the reactions OH + CH3COCCl2 X (X = F, Cl, Br) Hui ZhangGui-ling ZhangZe-sheng Li Regular Article 20 November 2008 Pages: 107 - 114
Curvilinear and surficial electron holes in atoms and molecules Toshikatsu KogaMasahiro Sekiya Letter 07 November 2008 Pages: 115 - 118
