| 1 |
Singlet excited states of Be-2
Pecul M, Jaszunski M, Larsen H, Jorgensen P
Journal of Chemical Physics, 112(8), 3671, 2000 |
| 2 |
Nuclear spin-spin coupling in the acetylene isotopomers calculated from ab initio correlated surfaces for (1)J(C, H), (1)J(C, C), (2)J(C, H), and (3)J(H, H)
Wigglesworth RD, Raynes WT, Kirpekar S, Oddershede J, Sauer SPA
Journal of Chemical Physics, 112(8), 3735, 2000 |
| 3 |
Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene
Bak KL, Koch H, Oddershede J, Christiansen O, Sauer SPA
Journal of Chemical Physics, 112(9), 4173, 2000 |
| 4 |
How should we calculate transition state geometries for radical reactions? The effect of spin contamination on the prediction of geometries for open-shell saddle points
Chuang YY, Coitino EL, Truhlar DG
Journal of Physical Chemistry A, 104(3), 446, 2000 |
| 5 |
The electron affinities of C3O and C4O
Rienstra-Kiracofe JC, Ellison GB, Hoffman BC, Schaefer HF
Journal of Physical Chemistry A, 104(11), 2273, 2000 |
| 6 |
An ab initio study of the kinetics of the reactions of halomethanes with the hydroxyl radical. 1. CH2Br2
Louis F, Gonzalez CA, Huie RE, Kurylo MJ
Journal of Physical Chemistry A, 104(13), 2931, 2000 |
| 7 |
Soft bending modes of terminal chlorides in gaseous two- and three-coordinate Cu(II)-Cl species
Ystenes BK, Jensen VR
Inorganic Chemistry, 38(18), 3985, 1999 |
| 8 |
Examination of the stabilities of group 14 (C, Si, Ge, Sn, Pb) congeners of dihydroxycarbene and dioxirane. Comparison to formic acid and hydroperoxycarbene congeners
Richardson NA, Rienstra-Kiracofe JC, Schaefer HF
Inorganic Chemistry, 38(26), 6271, 1999 |
| 9 |
Full configuration interaction benchmark calculations of first-order one-electron properties of BH and HF
Halkier A, Larsen H, Olsen J, Jorgensen P, Gauss J
Journal of Chemical Physics, 110(2), 734, 1999 |
| 10 |
InOH: A quantum chemical study
Arulmozhiraja S, Fujii T, Tokiwa H
Journal of Physical Chemistry A, 103(20), 4085, 1999 |
