| 1 |
Jahn-Teller effect in VF3
Solomonik VG, Boggs JE, Stanton JF
Journal of Physical Chemistry A, 103(7), 838, 1999 |
| 2 |
A density functional study of [2+3] versus [2+2] addition of ethylene to chromium-oxygen bonds in chromyl chloride
Torrent M, Deng LQ, Ziegler T
Inorganic Chemistry, 37(6), 1307, 1998 |
| 3 |
The equilibrium structure and fundamental vibrational frequencies of dioxirane
Stanton JF, Lopreore CL, Gauss J
Journal of Chemical Physics, 108(17), 7190, 1998 |
| 4 |
A comparison between the CISD[TQ] wave function and other highly correlated methods : Molecular geometry and harmonic vibrational frequencies of MgH2
Tschumper GS, Schaefer HF
Journal of Chemical Physics, 108(18), 7511, 1998 |
| 5 |
Definitive ab initio structure for the (X)over-tilde (2)A ＇ H2PO radical and resolution of the P-O stretching mode assignment
Wesolowski SS, Johnson EM, Leininger ML, Crawford TD, Schaefer HF
Journal of Chemical Physics, 109(7), 2694, 1998 |
| 6 |
Crossed-Beam Reaction of Carbon-Atoms with Hydrocarbon Molecules .3. Chemical-Dynamics of Propynylidyne (L-C3H X(2)II(J)) and Cyclopropynylidyne (C-C3H, X(2)B(2)) Formation from Reaction of C(P-3(J)) with Acetylene, C2H2(X(1)Sigma(+)(G))1-Sigma+g)
Kaiser RI, Ochsenfeld C, Headgordon M, Lee YT, Suits AG
Journal of Chemical Physics, 106(5), 1729, 1997 |
| 7 |
The (C)over-Tilde(2)A(2) Excited-State of NO2 - Evidence for a C-S Equilibrium Structure and a Failure of Some Spin-Restricted Reference Wave-Functions
Crawford TD, Stanton JF, Szalay PG, Schaefer HF
Journal of Chemical Physics, 107(7), 2525, 1997 |
| 8 |
Calculation of the G-Tensor of Electron-Paramagnetic-Resonance Spectroscopy Using Gauge-Including Atomic Orbitals and Density-Functional Theory
Schreckenbach G, Ziegler T
Journal of Physical Chemistry A, 101(18), 3388, 1997 |
| 9 |
Electronic-Spectrum of Propadienylidene (H2C=c=c)
Stanton JF, Depinto JT, Seburg RA, Hodges JA, Mcmahon RJ
Journal of the American Chemical Society, 119(2), 429, 1997 |
| 10 |
The Ring and Superoxide Isomers of SO2
Kellogg CB, Schaefer HF
Journal of Chemical Physics, 102(10), 4177, 1995 |
