| Effect of the f-Orbital Delocalization on the Ligand-Field Splitting Energies in Lanthanide-Containing Elpasolites | Journal of chemical theory and computation |  | | 2006 | 1,027 | 780 |
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| Preparation and characterization of 3-(4,5-ethylenedithio-1,3-dithiol-2-ylidene)naphthopyranone: a luminescent redox-active donor–acceptor compound | Tetrahedron | | | 2006 | 797 | 1,169 |
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| DFT study of mixed-valent Mn(II/III) hexacyanide cluster | International journal of quantum chemistry | | | 2005 | 702 | 394 |
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| Ground States, Excited States, and Metal-Ligand Bonding in Rare Earth Hexachloro Complexes: A DFT-Based Ligand Field Study | Inorganic chemistry | | | 2005 | 769 | 1,503 |
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| 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 | 637 | 656 |
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| DFT investigation of metal complexes containing a nitrosyl ligand. 1. ground state and metastable states | The journal of physical chemistry. A | | | 2001 | 694 | 0 |
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| Absorption spectra of several metal complexes revisited by the time-dependent density-functional theory-response theory formalism | The journal of physical chemistry. A | | | 2001 | 696 | 0 |
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| DFT investigation of metal complexes containing a nitrosyl ligand. 2. excited states | The journal of physical chemistry. A | | | 2001 | 552 | 0 |
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| 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 | 674 | 0 |
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| A comparison of ground- and excited-state properties of gas phase and crystalline ruthenocene using density functional theory | The Journal of chemical physics | | | 1998 | 602 | 0 |
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| Excited state properties of Cr3+ in Cs2NaYCl6 and Cs2NaYBr6 : A density functional study | The Journal of chemical physics | | | 1996 | 855 | 0 |
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| Non-empirical dynamical DFT calculation of the Berry pseudorotation of PF5 | Chemical physics letters | | | 1996 | 759 | 416 |
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| Density-functional investigation of the excited state properties and the Jahn-Teller effect in [CrX6]3- (X=Cl,Br) | Theoretica chimica acta | | | 1995 | 708 | 0 |
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| A density functional investigation of the ground- and excited-state properties of ruthenocene | The Journal of chemical physics | | | 1993 | 619 | 0 |
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| 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 | 545 | 0 |
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| The modeling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques | Journal of computer-aided molecular design | | | 1988 | 634 | 0 |
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