1 |
Ab initio molecular orbital study on atmosphere-sensitive characteristics of the alternate supply OMVPE growth of ZnSe Hayashi K, Omote N, Kanayama T Solid State Ionics, 172(1-4), 165, 2004 |
2 |
Mechanism of the S -> N isomerization and aquation of the thiocyanato pentaammine cobalt(III) ion Rotzinger FP, Benoit DM Inorganic Chemistry, 39(5), 944, 2000 |
3 |
Theoretical study of the mechanisms of palladation of methylenecyclopropane and [3+2] cycloadditions Suzuki T, Fujimoto H Inorganic Chemistry, 39(6), 1113, 2000 |
4 |
SiONB unit as reference for blocked Si center dot center dot center dot N interactions in SiON compounds Mitzel NW, Losehand U, Bauer B Inorganic Chemistry, 39(9), 1998, 2000 |
5 |
Theoretical studies of molybdenum peroxo complexes [MoOn(O-2)(3-n)(OPH3)] as catalysts for olefin epoxidation Deubel DV, Sundermeyer J, Frenking G Inorganic Chemistry, 39(11), 2314, 2000 |
6 |
Vibrationally resolved photoelectron spectra of CuCN- and AgCN-and ab initio studies of the structure and bonding in CuCN Boldyrev AI, Li X, Wang LS Journal of Chemical Physics, 112(8), 3627, 2000 |
7 |
An extensive study of gradient approximations to the exchange-correlation and kinetic energy functionals Chan GKL, Handy NC Journal of Chemical Physics, 112(13), 5639, 2000 |
8 |
The performance of density-functional theory in challenging cases: Halogen oxides Alcami M, Mo O, Yanez M, Cooper IL Journal of Chemical Physics, 112(14), 6131, 2000 |
9 |
Coupled-cluster studies of the hyperfine splitting constants of the thioformyl radical Petraco NDK, Wesolowski SS, Leininger ML, Schaefer HF Journal of Chemical Physics, 112(14), 6245, 2000 |
10 |
A dipole-bound dianion Skurski P, Simons J Journal of Chemical Physics, 112(15), 6563, 2000 |