| OpenMolcas: From Source Code to Insight | Journal of chemical theory and computation |  | | 2019 | 60 | 0 |
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| First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order | The Journal of chemical physics |  | | 2016 | 587 | 399 |
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| Homogeneity properties of the embedding potential in frozen-density embedding theory | Molecular physics | | | 2016 | 651 | 0 |
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| Orthogonality of embedded wave functions for different states in frozen-density embedding theory | The Journal of chemical physics | | | 2015 | 673 | 516 |
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| SplitGAS Method for Strong Correlation and the Challenging Case of Cr2 | Journal of chemical theory and computation | | | 2013 | 661 | 0 |
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| Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH)6]2+ (M = Fe, Co) | Journal of chemical theory and computation | | | 2012 | 783 | 0 |
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| Strong correlation treated via effective hamiltonians and perturbation theory | The Journal of chemical physics | | | 2011 | 674 | 0 |
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| Self-consistency in frozen-density embedding theory based calculations | The Journal of chemical physics | | | 2011 | 669 | 0 |
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| On the Analysis of the Cr-Cr Multiple Bond in Several Classes of Dichromium Compounds | Inorganic chemistry | | | 2010 | 832 | 0 |
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| The cis-[RuII(bpy)2(H2O)2]2+ Water-Oxidation Catalyst Revisited | Angewandte Chemie | | | 2010 | 833 | 0 |
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| Systematic truncation of the virtual space in multiconfigurational perturbation theory | The Journal of chemical physics | | | 2009 | 786 | 612 |
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| Generating CuII-Oxyl/CuIII-Oxo Species from CuI- α-Ketocarboxylate Complexes and O2: In silico studies on ligand effects and C-H-activation reactivity | Chemistry | | | 2009 | 776 | 480 |
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| Atomic Cholesky decompositions: a route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency | The Journal of chemical physics | | | 2009 | 676 | 1,008 |
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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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| Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds | Inorganic chemistry | | | 2008 | 776 | 539 |
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