Zeitschriftenartikel (217)
2016
Zeitschriftenartikel
Al Shaal, M. G.; ; ; Palkovits, R. Microwave-assisted reduction of levulinic acid with alcohols producing γ-valerolactone in the presence of a Ru/C catalyst. Catalysis Communications 2016, 75, 65–68.
Zeitschriftenartikel
Thiel, W. How Photoisomerization Drives Peptide Folding and Unfolding: Insights from QM/MM and MM Dynamics Simulations. Angewandte Chemie International Edition 2016, 55, 2067–2072.
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Zeitschriftenartikel
Bistoni, G.; ; ; ; ; ; How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes. Chemical Science 2016, 7, 1174–1184.
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Felderhoff, M.; ; ; ; ; ; ; ; Mg-based compounds for hydrogen and energy storage. Applied Physics A 2016, 122, 85.
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Zeitschriftenartikel
Thiel, W. Mechanism of Ylide Transfer to Carbonyl Compounds: Density Functional Calculations. European Journal of Organic Chemistry 2016, Nr. 4, 830–839.
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Zeitschriftenartikel
Clough, M. T.; ; ; ; ; ; Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts. Physical Chemistry Chemical Physics 2016, 18, 3339–3351.
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Fazzi, D.; ; First-Principles Study of the Nuclear Dynamics of Doped Conjugated Polymers. The Journal of Physical Chemistry C 2016, 120, 1994–2001.
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Tredwell, M.; 18F-Labeling of Arenes and Heteroarenes for Applications in Positron Emission Tomography. Chemical Reviews 2016, 116, 719–766.
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Zeitschriftenartikel
Suturina, E. A.; ; ; ; Atanasov, M.; Neese, F.; ; Homoleptic Two‐Coordinate Silylamido Complexes of Chromium(I), Manganese(I), and Cobalt(I). Chemistry – A European Journal 2016, 22, 1668–1674.
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Zeitschriftenartikel
Ahlers, A.; de Haro, T.; Gabor, B.; Fürstner, A. Concise Total Synthesis of Enigmazole A. Angewandte Chemie International Edition 2016, 55, 1406–1411.
Zeitschriftenartikel
Sun, Z.; Lonsdale, R.; Ilie, A.; Li, G.; ; Reetz, M. T. Catalytic Asymmetric Reduction of Difficult-to-Reduce Ketones: Triple Code Saturation Mutagenesis of an Alcohol Dehydrogenase. ACS Catalysis 2016, 6, 1598–1605.
Zeitschriftenartikel
Sun, Z.; Lonsdale, R.; Li, G.; ; Wang, J.; Reetz, M. T. Structure-Guided Triple-Code Saturation Mutagenesis: Efficient Tuning of the Stereoselectivity of an Epoxide Hydrolase. ACS Catalysis 2016, 6, 1590–1597.
Zeitschriftenartikel
Dutta, A. K.; Neese, F.; Izsák, R. Speeding up equation of motion coupled cluster theory with the chain of spheres approximation. The Journal of Chemical Physics 2016, 144, 034102.
Zeitschriftenartikel
Prieto, G.; Small-Angle Scattering Analysis of Empty or Loaded Hierarchical Porous Materials. The Journal of Physical Chemistry C 2016, 120, 1488–1506.
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Krewald, V.; Retegan, M.; Neese, F.; Lubitz, W.; Pantazis, D. A.; Cox, N. Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst. Inorganic Chemistry 2016, 55, 488–501.
Zeitschriftenartikel
Mondal, S.; ; ; ; ; ; ; Disorder and defects are not intrinsic to boron carbide. Scientific Reports 2016, 6, 19330.
Zeitschriftenartikel
Heggen, B.; ; Thiel, W. Cyclization of an α,β-Unsaturated Hydrazone Catalyzed by a BINOL-Phosphoric Acid: Pericyclic or Not? Journal of Computational Chemistry 2016, 37, 280–285.
Zeitschriftenartikel
Morandi, B. Direct Catalytic Synthesis of Unprotected 2‐Amino‐1‐Phenylethanols from Alkenes by Using Iron(II) Phthalocyanine. Angewandte Chemie International Edition 2016, 55, 2248–2251.
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Zeitschriftenartikel
Riplinger, C.; Pinski, P.; Becker, U.; ; Neese, F. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory. The Journal of Chemical Physics 2016, 144, 024109.
Zeitschriftenartikel
Tuna, D.; Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms. Physical Chemistry Chemical Physics 2016, 18, 947–955.