If you use GaussSum to obtain results for publication, please use the appropriate citation below:
Noel M. O'Boyle, Johannes G. Vos, GaussSum 1.0, Dublin City University, 2005. Available at http://gausssum.sourceforge.net.
Noel M. O'Boyle, Johannes G. Vos, GaussSum 0.9, Dublin City University, 2005. Available at http://gausssum.sourceforge.net.
Noel M. O'Boyle, Johannes G. Vos, GaussSum 0.8, Dublin City University, 2004. Available at http://gausssum.sourceforge.net.
Noel M. O'Boyle, Johannes G. Vos, GaussSum 0.6, Dublin City University, 2003. Available at http://gausssum.sourceforge.net.
Note that the abbreviated forms of our names are:
N. M. O'Boyle and J. G. Vos
Here is a list of some papers that cite GaussSum. Please let me know if you know of any others.
Computational studies of the interactions between emeraldine and palladium atom. B. Bialek, Surf. Sci., 2006, 600, 1679.
Excited States of Nitro-Polypyridine Metal Complexes and Their Ultrafast Decay. Time-Resolved IR Absorption, Spectroelectrochemistry, and TD-DFT Calculations of fac-[Re(Cl)(CO)3(5-Nitro-1,10-phenanthroline)]. A. Gabrielsson, P. Matousek, M. Towrie, F. Hartl, S. Zalis, and A. Vlcek, Jr., J. Phys. Chem. A, 2005, 109, 6147.
Molecular geometry, electronic structure and optical properties study of meridianal tris(8-hydroxyquinolinato)gallium(III) with ab initio and DFT methods. G. Gahungu, and J. Zhang, J. Mol. Struct. THEOCHEM, 2005, 755, 19.
CH/N Substituted mer-Gaq3 and mer-Alq3 Derivatives: An Effective Approach for the Tuning of Emitting Color. G. Gahungu and J. Zhang. J. Phys. Chem. B, 2005, 109, 17762.
Ground- and excited-state electronic structure of an emissive pyrazine-bridged ruthenium(II) dinuclear complex. W.R. Browne, N.M. O'Boyle, W. Henry, A.L. Guckian, S. Horn, T. Fett, C.M. O'Connor, M. Duati, L. De Cola, C.G. Coates, K.L. Ronayne, J.J. McGarvey, and J.G. Vos, J. Am. Chem. Soc., 2005, 127, 1229.
Bimetallic Clusters Pt6Au: Geometric and Electronic Structures within Density Functional Theory W. Quan Tian, M. Ge, F. Gu, and Y. Aoki, J. Phys. Chem. A, 2005, 109, 9860.
Ground vs. excited state interaction in ruthenium-thienyl dyads: implications for through bond interactions in multicomponent systems. W. Henry, W.R. Browne, K.L. Ronayne, N.M. O'Boyle, J.G. Vos, and J.J. McGarvey, J. Mol. Struct., 2005, 735-736, 123.
(NH3CH2CH2NH3)Ag2SnS4: a quaternary sulfide-containing chiral layers. Y. An, B. Menghe, L. Ye, M. Ji, X. Liu, and G. Ning, Inorg. Chem. Commun., 2005, 8, 301.
(Ligand-to-Diimine/Metal-to-Diimine Charge-Transfer Excited States of [Re(NCS)(CO)3(alpha-diimine)] (alpha-diimine = 2,2'-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A Spectroscopic and Computational Study. A.M. Blanco Rodriguez, A. Gabrielsson, M. Motevalli, P. Matousek, M. Towrie, J. Syebera, S. Zalis, and Antonin Vlcek, Jr., J. Phys. Chem. A, 2005, 109, 5016.
DFT and HF Studies of the Geometry, Electronic Structure, and Vibrational Spectra of 2-Nitrotetraphenylporphyrin and Zinc 2-Nitrotetraphenylporphyrin. W. Li, Y.-B. Wang, I. Pavel, Y. Ye, Z.-P. Chen, M.-D. Luo, J.-M. Hu, and W. Kiefer, J. Phys. Chem. A, 2004, 108, 6052.
Assessment of intercomponent interaction in phenylene bridged dinuclear ruthenium(II) and osmium(II) polypyridyl complexes. A.L. Guckian, M.Doering, M. Ciesielski, O. Walter, J. Hjelm, N.M. O'Boyle, W. Henry, W.R. Browne, J.J. McGarvey, and J.G. Vos, Dalton Trans., 2004, 3943.
Ab initio study of the electronic and structural properties of the crystalline polyethyleneimine polymer. G. Herlem and B. Lakard, J. Chem. Phys., 2004, 1209, 376.