Zeitschriftenartikel (217)

21.
Zeitschriftenartikel
Wang, Y.-T.; Liu, X.-Y.; Cui, G.; Fang, W.-H.; Thiel, W.: Photoisomerization of Arylazopyrazole Photoswitches: Stereospecific Excited-State Relaxation. Angewandte Chemie International Edition 55 (45), S. 14009 - 14013 (2016)
22.
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Ye, S.; Kupper, C.; Meyer, S.; Andris, E.; Navrátil, R.; Krahe, O.; Mondal, B.; Atanasov, M.; Bill, E.; Roithová, J. et al.; Meyer, F.; Neese, F.: Magnetic Circular Dichroism Evidence for an Unusual Electronic Structure of a Tetracarbene–Oxoiron(IV) Complex. Journal of the American Chemical Society 138 (43), S. 14312 - 14325 (2016)
23.
Zeitschriftenartikel
Luo, X.-J.; Zhao, J.; Li, C.-X.; Bai, Y.-P.; Reetz, M. T.; Yu, H.-L.; Xu, J.-H.: Combinatorial evolution of phosphotriesterase toward a robust malathion degrader by hierarchical iteration mutagenesis. Biotechnology and Bioengineering 113 (11), S. 2350 - 2357 (2016)
24.
Zeitschriftenartikel
König, G.; Pickard, F. C.; Huang, J.; Simmonett, A. C.; Tofoleanu, F.; Lee, J.; Dral, P. O.; Prasad, S.; Jones, M.; Shao, Y. et al.; Thiel, W.; Brooks, B. R.: Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge. Journal of Computer-Aided Molecular Design 30 (11), S. 989 - 1006 (2016)
25.
Zeitschriftenartikel
Molter, A.; Rust, J.; Lehmann, C. W.; Mohr, F.: A cyclopalladated phosphine selenide with an anionic acylselenourea ligand. Inorganic Chemistry Communications 73 (11), S. 69 - 71 (2016)
26.
Zeitschriftenartikel
Owens, A.; Yurchenko, S. N.; Yachmenev, A.; Tennyson, J.; Thiel, W.: A global ab initio dipole moment surface for methyl chloride. Journal of Quantitative Spectroscopy and Radiative Transfer 184, S. 100 - 110 (2016)
27.
Zeitschriftenartikel
Seidel, R. W.; Goddard, R.; Mayer-Gall, T.; Oppel, I. M.: A synchrotron study of [5,10,15,20-tetrakis(3- cyanophenyl)porphyrinato-κ4N5,N10,N15,N20]- copper(II) nitrobenzene trisolvate at 80 K1. Acta Crystallographica, Section C: Crystal Structure Communications 72 (11), S. 861 - 866 (2016)
28.
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Fang, X.; Yu, P.; Prina Cerai, G.; Morandi, B.: Unlocking Mizoroki–Heck-Type Reactions of Aryl Cyanides Using Transfer Hydrocyanation as a Turnover-Enabling Step. Chemistry – A European Journal 22 (44), S. 15629 - 15633 (2016)
29.
Zeitschriftenartikel
Arumughan, A.; Roske, Y.; Barth, C.; Forero, L. L.; Bravo-Rodriguez, K.; Redel, A.; Kostova, S.; McShane, E.; Robert Opitz, R.; Faelber, K. et al.; Rau, K.; Mielke, T.; Daumke, O.; Selbach, M.; Sanchez-Garcia, E.; Rocks, O.; Daniela Panáková, D.; Heinemann, U.; Wanker, E. E.: Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers. Nature Communications 7, 13047/1-13 (2016)
30.
Zeitschriftenartikel
Kubas, A.; Berger, D.; Oberhofer, H.; Maganas, D.; Reuter, K.; Neese, F.: Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110). The Journal of Physical Chemistry Letters 7 (20), S. 4207 - 4212 (2016)
31.
Zeitschriftenartikel
Tuna, D.; Sobolewski, A. L.; Domcke, W.: Conical-Intersection Topographies Suggest That Ribose Exhibits Enhanced UV Photostability. The Journal of Physical Chemistry B 120 (41), S. 10729 - 10735 (2016)
32.
Zeitschriftenartikel
Castro, M.; Haouas, M.; Lim, I.; Bongard, H.-J.; Schüth, F.; Taulelle, F.; Karlsson, G.; Alfredsson, V.; Breyneart, E.; Kirschhock, C. E. A. et al.; Schmidt, W.: Zeolite Beta Formation from Clear Sols: Silicate Speciation, Particle Formation and Crystallization Monitored by Complementary Analysis Methods. Chemistry – A European Journal 22 (43), S. 15307 - 15319 (2016)
33.
Zeitschriftenartikel
Cromm, P. M.; Wallraven, K.; Glas, A.; Bier, D.; Fürstner, A.; Ottmann, C.; Grossmann, T. N.: Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis. ChemBioChem: A European Journal of Chemical Biology 17 (20), S. 1915 - 1919 (2016)
34.
Zeitschriftenartikel
Hitzenberger, J. F.; Dral, P. O.; Meinhardt, U.; Clark, T.; Thiel, W.; Kivala, M.; Drewello, T.: Stability of odd versus even electron gas-phase (quasi)molecular ions derived from pyridine-substituted N-heterotriangulenes. ChemPlusChem, S. 204 - 211 (2016)
35.
Zeitschriftenartikel
Mehler, G.; Linowski, P.; Carreras, J.; Zanardi, A.; Dube, J. W.; Alcarazo, M.: Bis(cyclopropenium)phosphines: Synthesis, Reactivity, and Applications. Chemistry – A European Journal 22 (43), S. 15320 - 15327 (2016)
36.
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Pickard, F. C.; König, G.; Simmonett, A. C.; Shao, J.; Brooks, B. R.: An efficient protocol for obtaining accurate hydration free energies using quantum chemistry and reweighting from molecular dynamics simulations. Bioorganic & Medicinal Chemistry 24 (20), S. 4988 - 4997 (2016)
37.
Zeitschriftenartikel
Arbelo-González, W.; Crespo-Otero, R.; Barbatti, M.: Steady and Time-Resolved Photoelectron Spectra Based on Nuclear Ensembles. Journal of Chemical Theory and Computation 12 (10), S. 5037 - 5049 (2016)
38.
Zeitschriftenartikel
Schneider, W. B.; Bistoni, G.; Sparta, M.; Saitow, M.; Riplinger, C.; Auer, A. A.; Neese, F.: Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework. Journal of Chemical Theory and Computation 12 (10), S. 4778 - 4792 (2016)
39.
Zeitschriftenartikel
Kaib, P. S. J.; Schreyer, L.; Lee, S.; Properzi, R.; List, B.: Extremely Active Organocatalysts Enable a Highly Enantioselective Addition of Allyltrimethylsilane to Aldehydes. Angewandte Chemie International Edition 55 (42), S. 13200 - 13203 (2016)
40.
Zeitschriftenartikel
Dodekatos, G.; Tüysüz, H.: Plasmonic Au/TiO2 nanostructures for glycerol oxidation. Catalysis Science & Technology 6 (19), S. 7307 - 7315 (2016)
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