Furche, Filipp Ulrich - University of California, Irvine

研究领域

Physical Chemistry and Chemical Physics/Theoretical and Computational

近期论文

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Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1− anion containing thorium in the formal +2 oxidation state. R. R. Langeslay, M. E. Fieser, J. W. Ziller, F. Furche, W. J. Evans. Chem. Sci. 6 517 (2015) doi:10.1039/C4SC03033H Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln2+ Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy2+ and Nd2+. M. E. Fieser, M. R. MacDonald, B. T. Krull, J. E. Bates, J. W. Ziller, F. Furche, W. J. Evans. J. Am. Chem. Soc. 137 369 (2015) doi:10.1021/ja510831n First-order derivative couplings between excited states from adiabatic TDDFT response theory. Q. Ou, G. D. Bellchambers, F. Furche, J. E. Subotnik. J. Chem. Phys. 142 064114 (2015) doi:10.1063/1.4906941 Analytical first-order molecular properties and forces within the adiabatic connection random phase approximation. A. M. Burow, J. E. Bates, F. Furche, H. Eshuis. J. Chem. Theory Comput. 10 180 (2014) doi:10.1021/ct4008553 Turbomole. F. Furche, R. Ahlrichs, C. Hättig, W. Klopper, M. Sierka, F. Weigend. WIREs Comput. Mol. Sci. 4 91 (2014) doi:10.1002/wcms.1162 (open access) Differentiating Chemically Similar Lewis Acid Sites in Heterobimetallic Complexes: The Rare-Earth Bridged Hydride (C5Me5)2Ln(μ-H)2Ln'(C5Me5)2 and Tuckover Hydride (C5Me5)2Ln(μ-H)(μ-η1:η5-CH2C5Me4)Ln'(C5Me5) Systems. M. E. Fieser, T. J. Mueller, J. E. Bates, J. W. Ziller, F. Furche, W. J. Evans. Organometallics 33 3882 (2014) doi:10.1021/om500624x At What Size do Neutral Gold Clusters Turn Three-Dimensional? M. P. Johansson, I. Warnke, A. Le, F. Furche. J. Phys. Chem. C, Just Accepted Manuscript. doi:10.1021/jp505776d Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand. S. Hananouchi, B. T. Krull, J. W. Ziller, F. Furche, A. F. Heyduk. Dalton Trans. 43 17991 (2014) doi:10.1039/C4DT02259A Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+. M. R. MacDonald, J. E. Bates, J. W. Ziller, F. Furche, W. J. Evans. J. Am. Chem. Soc. 135 9857 (2013) doi:10.1021/ja403753j C&EN News Highlight Dinitrogen Reduction via Photochemical Activation of Heteroleptic Tris(cyclopentadienyl) Rare-Earth Complexes. M. E. Fieser, J. E. Bates, J. W. Ziller, F. Furche, W. J. Evans. J. Am. Chem. Soc. 135 3804-3807 (2013) doi:10.1021/ja400664s Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O). D. R. Kindra, I. J. Casely, M. E. Fieser, J. W. Ziller, F. Furche, W. J. Evans. J. Am. Chem. Soc. 135 7777 (2013) doi:10.1021/ja403133f Ab initio non-adiabatic dynamics. E. Tapavicza, G. Bellchambers, J. C. Vincent, F. Furche. Phys. Chem. Chem. Phys. 15 18336 (2013) doi:10.1039/C3CP51514A Identification of the +2 Oxidation State for Uranium in a Crystalline Molecular Complex, [K(2.2.2-Cryptand)][(C5H4SiMe3)3U]. M. R. MacDonald, M. E. Fieser, J. E. Bates, J. W. Ziller, F. Furche, W. J. Evans. J. Am. Chem. Soc. 135 13310 (2013) doi:10.1021/ja406791t Direct photolysis of carbonyl compounds dissolved in cloud and fog~droplets. S. A. Epstein, E. Tapavicza, F. Furche, S. A. Nizkorodov. Atmos. Chem. Phys. 13 9461 (2013) doi:10.5194/acp-13-9461-2013 Random phase approximation renormalized many-body perturbation theory. J. E. Bates, F. Furche. J. Chem. Phys. 139 171103 (2013) doi:10.1063/1.4827254