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| Title | Published in | Access level | OA Policy | Year | Views | Downloads | |
|---|---|---|---|---|---|---|---|
| Effect of the f-Orbital Delocalization on the Ligand-Field Splitting Energies in Lanthanide-Containing Elpasolites | Journal of chemical theory and computation |  | 2006 | 1,021 | 723 | ||
| Preparation and characterization of 3-(4,5-ethylenedithio-1,3-dithiol-2-ylidene)naphthopyranone: a luminescent redox-active donor–acceptor compound | Tetrahedron | | 2006 | 791 | 1,106 | ||
| DFT study of mixed-valent Mn(II/III) hexacyanide cluster | International journal of quantum chemistry | | 2005 | 693 | 354 | ||
| Ground States, Excited States, and Metal-Ligand Bonding in Rare Earth Hexachloro Complexes: A DFT-Based Ligand Field Study | Inorganic chemistry | | 2005 | 760 | 1,303 | ||
| Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations inchloroelpasolite crystals | Chemical physics letters | | 2004 | 631 | 600 | ||
| DFT investigation of metal complexes containing a nitrosyl ligand. 1. ground state and metastable states | The journal of physical chemistry. A | 2001 | 687 | 0 | |||
| Absorption spectra of several metal complexes revisited by the time-dependent density-functional theory-response theory formalism | The journal of physical chemistry. A | 2001 | 687 | 0 | |||
| DFT investigation of metal complexes containing a nitrosyl ligand. 2. excited states | The journal of physical chemistry. A | 2001 | 543 | 0 | |||
| A comparison of ground- and excited-state properties of [Ru(bz)2]2+ and bis(h6-benzene)ruthenium(II)p-toluenesulfonate using density functional theory | Journal of computational chemistry | 1999 | 667 | 0 | |||
| A comparison of ground- and excited-state properties of gas phase and crystalline ruthenocene using density functional theory | The Journal of chemical physics | 1998 | 595 | 0 | |||
| Excited state properties of Cr3+ in Cs2NaYCl6 and Cs2NaYBr6 : A density functional study | The Journal of chemical physics | 1996 | 848 | 0 | |||
| Non-empirical dynamical DFT calculation of the Berry pseudorotation of PF5 | Chemical physics letters | | 1996 | 754 | 375 | ||
| Density-functional investigation of the excited state properties and the Jahn-Teller effect in [CrX6]3- (X=Cl,Br) | Theoretica chimica acta | 1995 | 703 | 0 | |||
| A density functional investigation of the ground- and excited-state properties of ruthenocene | The Journal of chemical physics | 1993 | 614 | 0 | |||
| Base hydrolysis of acidato pentaamine complexes with inert metal centers: electronic structure of the intermediates, requirements for their formation, and the unique reactivity of the complexes of cobalt(III) | Helvetica chimica acta | 1991 | 537 | 0 | |||
| The modeling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques | Journal of computer-aided molecular design | 1988 | 624 | 0 |
