Wissenschaftliche Publikationen

Zeitschriftenartikel (4471)

1.
Zeitschriftenartikel
Drosou, M.; Mitsopoulou, C. A.; Pantazis, D. A.: Spin-state energetics of manganese spin crossover complexes: Comparison of single-reference and multi-reference ab initio approaches. Polyhedron 208 (11), 115399 (2021)
2.
Zeitschriftenartikel
Amos, S. G. E.; Cavalli, D.; Le Vaillant, F.; Waser, J.: Direct Photoexcitation of Ethynylbenziodoxolones: An Alternative to Photocatalysis for Alkynylation Reactions. Angewandte Chemie International Edition 60 (44), S. 23827 - 23834 (2021)
3.
Zeitschriftenartikel
Guan, Y.; Zhang, W.; Wang, Q.; Weidenthaler, C.; Wu, A.; Gao, W.; Pei, Q.; Yan, H.; Cui, J.; Wu, H. et al.; Feng, S.; Wang, R.; Cao, H.; Ju, X.; Lui, L.; He, T.; Guo, J.; Chen, P.: Barium chromium nitride-hydride for ammonia synthesis. Chem Catalysis 1 (5), S. 1042 - 1054 (2021)
4.
Zeitschriftenartikel
Denton, E. H.; Lee, Y. H.; Roediger, S.; Boehm, P.; Fellert, M.; Morandi, B.: Catalytic Carbochlorocarbonylation of Unsaturated Hydrocarbons via C−COCl Bond Cleavage. Angewandte Chemie International Edition 60 (43), S. 23435 - 23443 (2021)
5.
Zeitschriftenartikel
Garcia-Ratés, M.; Becker, U.; Neese, F.: Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory. Journal of Computational Chemistry 42 (27), S. 1959 - 1973 (2021)
6.
Zeitschriftenartikel
Altun, A.; Garcia-Ratés, M.; Neese, F.; Bistoni, G.: Unveiling the complex pattern of intermolecular interactions responsible for the stability of the DNA duplex. Chemical Science 12 (38), S. 12785 - 12793 (2021)
7.
Zeitschriftenartikel
Sharma, B.; Tran, V. A.; Pongratz, T.; Galazzo, L.; Zhurko, I.; Bordignon, E.; Kast, S. M.; Neese, F.; Marx, D.: A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water. Journal of Chemical Theory and Computation 17 (10), S. 6366 - 6386 (2021)
8.
Zeitschriftenartikel
Hillenbrand, J.; Korber, J. N.; Leutzsch, M.; Nöthling, N.; Fürstner, A.: Canopy Catalysts for Alkyne Metathesis: Investigations into a Bimolecular Decomposition Pathway and the Stability of the Podand Cap. Chemistry – A European Journal 27 (56), S. 14025 - 14033 (2021)
9.
Zeitschriftenartikel
Marques, F.; Balcerzak, M.; Winkelmann, F.; Zepon, G.; Felderhoff, M.: Review and outlook on high-entropy alloys for hydrogen storage. Energy & Environmental Science 14 (10), S. 5191 - 5227 (2021)
10.
Zeitschriftenartikel
Fürstner, A.: The Ascent of Alkyne Metathesis to Strategy-Level Status. Journal of the American Chemical Society 143 (38), S. 15538 - 15555 (2021)
11.
Zeitschriftenartikel
Sönmez, T.; Belthle, K. S.; Iemhoff, A.; Uecker, J.; Artz, J.; Bisswanger, T.; Stampfer, C.; Hamzah, H. H.; Nicolae, S. A.; Titirici, M.-M. et al.; Palkovits, R.: Metal free-covalent triazine frameworks as oxygen reduction reaction catalysts – structure–electrochemical activity relationship. Catalysis Science & Technology 11 (18), S. 6191 - 6204 (2021)
12.
Zeitschriftenartikel
Bhattacharyya, K.: Can TDDFT render the electronic excited states ordering of Azine derivative? A closer investigation with DLPNO-STEOM-CCSD. Chemical Physics Letters 779 (9), 138827 (2021)
13.
Zeitschriftenartikel
Koehler, T.; Strauss, I.; Mundstock, A.; Caro, J.; Marlow, F.: Reversible Photoalignment of Azobenzene in the SURMOF HKUST-1. The Journal of Physical Chemistry Letters 12 (36), S. 8903 - 8908 (2021)
14.
Zeitschriftenartikel
Amatov, T.; Tsuji, N.; Maji, R.; Schreyer, L.; Zhou, H.; Leutzsch, M.; List, B.: Confinement-Controlled, Either syn- or anti-Selective Catalytic Asymmetric Mukaiyama Aldolizations of Propionaldehyde Enolsilanes. Journal of the American Chemical Society 143 (36), S. 14475 - 14481 (2021)
15.
Zeitschriftenartikel
Dopilka, A.; Childs, A.; Ovchinnikov, A.; Zhao, R.; Bobev, S.; Peng, X.; Chan, C. K.: Structural and Electrochemical Properties of Type VIII Ba8Ga16−δSn30+δ Clathrate (δ ≈ 1) during Lithiation. ACS Applied Materials and Interfaces 13 (36), S. 42564 - 42578 (2021)
16.
Zeitschriftenartikel
Luo, R.; Schrader, W.: Getting a better overview of a highly PAH contaminated soil: A non-targeted approach assessing the real environmental contamination. Journal of Hazardous Materials 418, 126352 (2021)
17.
Zeitschriftenartikel
Schwengers, S. A.; De, C. K.; Grossmann, O.; Grimm, J. A. A.; Sadlowski, N. R.; Gerosa, G. G.; List, B.: Unified Approach to Imidodiphosphate-Type Brønsted Acids with Tunable Confinement and Acidity. Journal of the American Chemical Society 143 (36), S. 14835 - 14844 (2021)
18.
Zeitschriftenartikel
Helmich-Paris, B.; de Souza, B.; Neese, F.; Izsák, R.: An improved chain of spheres for exchange algorithm. The Journal of Chemical Physics 155 (10), 104109 (2021)
19.
Zeitschriftenartikel
Dopilka, A.; Childs, A.; Bobev, S.; Chan, C. K.: Electrochemical Lithium Alloying Behavior of Guest-Free Type II Silicon Clathrates. The Journal of Physical Chemistry C 125 (35), S. 19110 - 19118 (2021)
20.
Zeitschriftenartikel
Meng, Z.; Spohr, S. M.; Tobegen, S.; Farès, C.; Fürstner, A.: A Unified Approach to Polycyclic Alkaloids of the Ingenamine Estate: Total Syntheses of Keramaphidin B, Ingenamine, and Nominal Njaoamine I. Journal of the American Chemical Society 143 (35), S. 14402 - 14414 (2021)
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