| 1 |
Molecular Dynamics Simulations of Anharmonic Infrared Spectra of [SiPAH](+) pi-Complexes
Joalland B, Rapacioli M, Simon A, Joblin C, Marsden CJ, Spiegelman F
Journal of Physical Chemistry A, 114(18), 5846, 2010 |
| 2 |
Infrared Spectra and Density Functional Calculations of the SUO2 Molecule
Wang XF, Andrews L, Marsden CJ
Inorganic Chemistry, 48(14), 6888, 2009 |
| 3 |
Theoretical characterization of the lowest triplet excited states of the tris-(1,4,5,8-tetraazaphenanthrene) ruthenium dication complex
Alary F, Boggio-Pasqua M, Heully JL, Marsden CJ, Vicendo P
Inorganic Chemistry, 47(12), 5259, 2008 |
| 4 |
Examining the performance of DFT methods in uranium chemistry: Does core size matter for a pseudopotential?
Iche-Tarrat N, Marsden CJ
Journal of Physical Chemistry A, 112(33), 7632, 2008 |
| 5 |
Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies
Clavaguera-Sarrio C, Vallet V, Maynau D, Marsden CJ
Journal of Chemical Physics, 121(11), 5312, 2004 |
| 6 |
On the electronic structure of molecular UO2 in the presence of Ar atoms: Evidence for direct U-Ar bonding
Li J, Bursten BE, Andrews L, Marsden CJ
Journal of the American Chemical Society, 126(11), 3424, 2004 |
| 7 |
Molecular geometry of monomeric and dimeric yttrium trichloride from gas-phase electron diffraction and quantum chemical calculations
Reffy B, Marsden CJ, Hargittai M
Journal of Physical Chemistry A, 107(11), 1840, 2003 |
| 8 |
Modeling complexes of the uranyl ion UO2L2n+: Binding energies, geometries, and bonding analysis
Clavaguera-Sarrio C, Hoyau S, Ismail N, Marsden CJ
Journal of Physical Chemistry A, 107(22), 4515, 2003 |
| 9 |
Modeling of uranyl cation-water clusters
Clavaguera-Sarrio C, Brenner V, Hoyau S, Marsden CJ, Millie P, Dognon JP
Journal of Physical Chemistry B, 107(13), 3051, 2003 |
| 10 |
The first infrared spectra and quasirelativistic DFT studies of the US, US2, and US3 molecules
Liang BY, Andrews L, Ismail N, Marsden CJ
Inorganic Chemistry, 41(11), 2811, 2002 |
