| Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study | Journal of chemical theory and computation |  | | 2011 | 674 | 0 |
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| Multiconfigurational perturbation theory : Recent developments and applications | |  | | 2010 | 1,102 | 831 |
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| Second-order perturbation theory with complete and restricted active space reference functions applied to oligomeric unsaturated hydrocarbons | PCCP. Physical chemistry chemical physics | | | 2009 | 719 | 568 |
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| What Active Space Adequately Describes Oxygen Activation by a Late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of O2 with a Cu(I)-α-Ketocarboxylate | Journal of chemical theory and computation | | | 2009 | 623 | 572 |
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| Helicate Extension as a Route to Molecular Wires | Chemistry | | | 2008 | 708 | 621 |
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| A dichromium(II) bis([eta]⁸-pentalene) double-sandwich complex with a spin equilibrium : synthetic, structural, magnetic and theoretical studies | Organometallics | | | 2008 | 792 | 852 |
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| Stereoelectronic effects on molecular geometries and state-energy splittings of ligated monocopper dioxygen complexes | The journal of physical chemistry. A | | | 2008 | 755 | 712 |
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| The restricted active space followed by second-order perturbation theory method : theory and application to the study of CuO₂ and Cu₂O₂ systems | The Journal of chemical physics | | | 2008 | 701 | 2,068 |
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| Pocket and Antipocket conformations for the CH4@C84 endohedral fullerene | International journal of quantum chemistry | | | 2007 | 674 | 491 |
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| Quantum Chemical Characterization of Low-energy States of Calicene in the Gas Phase and Solution | Journal of organic chemistry | | | 2007 | 752 | 679 |
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| Self-sorting chiral subcomponent rearrangement during crystallization | Journal of the American Chemical Society | | | 2007 | 753 | 969 |
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| Early Excited State Dynamics of 6-Styryl-Substituted Pyrylium Salts Exhibiting Dual Fluorescence | The journal of physical chemistry. A | | | 2006 | 697 | 581 |
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