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Nooijen, M.; Demel, O.; Datta, D.; Kong, L.; Shamasundar, K. R.; Lotrich, V.; Huntington, L. M.; Neese, F. Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure. The Journal of Chemical Physics 2014, 140, 081102.

Tielmann, P.; Kierkels, H.; Zonta, A.; Ilie, A.; Reetz, M. T. Increasing the activity and enantioselectivity of lipases by sol–gel immobilization: further advancements of practical interest. Nanoscale 2014, 12, 6220–6228.

Marian, C. M.; Nakagawa, S.; Rai-Constapel, V.; Karasulu, B.; Thiel, W. Photophysics of Flavin Derivatives Absorbing in the Blue-Green Region: Thioflavins As Potential Cofactors of Photoswitches. The Journal of Physical Chemistry B 2014, 118, 1743–1753.

Kozma, Á.; Deden, T.; Carreras, J.; Wille, C.; Petuškova, J.; Rust, J.; Alcarazo, M. Coordination Chemistry of Cyclopropenylidene-Stabilized Phosphenium Cations: Synthesis and Reactivity of Pd and Pt Complexes. Chemistry - A European Journal 2014, 20, 2208–2214.

Kochem, A.; Neese, F.; van Gastel, M. Spectroscopic and Quantum Chemical Study of the Ni(PPh2NC6H4CH2P(O)(OEt)22)2 Electrocatalyst for Hydrogen Production with Emphasis on the NiI Oxidation State. The Journal of Physical Chemistry C 2014, 118, 2350–2360.

Riplinger, C.; Bill, E.; Daiber, A.; Ullrich, V.; Shoun, H.; Neese, F. New Insights into the Nature of Observable Reaction Intermediates in Cytochrome P450 NO Reductase by Using a Combination of Spectroscopy and Quantum Mechanics/Molecular Mechanics Calculations. Chemistry – A European Journal 2014, 20, 1602–1614.

Schrader, W.; Xuan, Y.; Gaspar, A. Studying Ultra-Complex Crude Oil Mixtures by Using High-Field Asymmetric Waveform Ion Mobility Spectrometry (FAIMS) Coupled to an Electrospray Ionisation-LTQ-Orbitrap Mass Spectrometer. European Journal of Mass Spectrometry 2014, 20, 43–49.

Saracini, C.; Liakos, D. G.; Zapata Rivera, J. E.; Neese, F.; Meyer, G. J.; Karlin, K. D. Excitation Wavelength Dependent O₂ Release from Copper(II)–Superoxide Compounds: Laser Flash-Photolysis Experiments and Theoretical Studies. Journal of the American Chemical Society 2014, 136, 1260–1263.

Klein, E. L.; Belaidi, A. A.; Raitsimring, A. M.; Davis, A. C.; Krämer, T.; Astashkin, A. V.; Neese, F.; Schwarz, G.; Enemark, J. H. Pulsed Electron Paramagnetic Resonance Spectroscopy of ³³S-Labeled Molybdenum Cofactor in Catalytically Active Bioengineered Sulfite Oxidase. Inorganic Chemistry 2014, 53, 961–971.

Meier, J. C.; Galeano Nunez, D. C.; Katsounaros, I.; Witte, J.; Bongard, H.-J.; Topalov, A. A.; Baldizzone, C.; Mezzavilla, S.; Schüth, F.; Mayrhofer, K. J. J. Design criteria for stable Pt/C fuel cell catalysts. Beilstein Journal of Nanotechnology 2014, 5, 44–67.

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Galeano, C.; Baldizzone, C.; Bongard, H.-J.; Spliethoff, B.; Weidenthaler, C.; Meier, J. C.; Mayrhofer, K. J. J.; Schüth, F. Carbon-Based Yolk–Shell Materials for Fuel Cell Applications. Advanced Functional Materials 2014, 24, 220–232.

Schüth, F. Encapsulation Strategies in Energy Conversion Materials. Chemistry of Materials 2014, 26, 423–434.

Seidel, G.; Gabor, B.; Goddard, R.; Heggen, B.; Thiel, W.; Fürstner, A. Gold Carbenoids: Lessons Learnt from a Transmetalation Approach. Angewandte Chemie International Edition 2014, 53, 879–882.

Spörkel, L.; Cui, G.; Koslowski, A.; Thiel, W. Nonequilibrium H/D Isotope Effects from Trajectory-Based Nonadiabatic Dynamics. The Journal of Physical Chemistry A 2014, 118, 152–157.

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List, B.; Čorić, I.; Grygorenco, O. O.; Kaib, P. S. J.; Komarov, I.; Lee, A.; Leutzsch, M.; Pan, S. C.; Tymtsunik, A. V.; van Gemmeren, M. The Catalytic Asymmetric α-Benzylation of Aldehydes. Angewandte Chemie International Edition 2014, 53, 282–285.

Antol, I.; Glasovac, Z.; Crespo-Otero, R.; Barbatti, M. Guanidine and guanidinium cation in the excited state—theoretical investigation. The Journal of Chemical Physics 2014, 141, 074307/1–074307/10.

Asahina, S.; Suga, M.; Takahashi, H.; Jeong, H. Y.; Galeano Nunez, D. C.; Schüth, F.; Terasaki, O. Direct observation and analysis of york-shell materials using low-voltage high-resolution scanning electron microscopy: Nanometal-particles encapsulated in metal-oxide, carbon, and polymer. APL Materials 2014, 2, 113317–113311-113317–113317.