Journal Article (205)
2012
Journal Article
Schunk, D.; ; ; Marlow, F. Monodisperse Titania Microspheres Via Controlled Nanoparticle Aggregation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2012, 14, 7490–7496.
Journal Article
Schüth, F. Catalysis Research-where does the Path Lead. Praxis der Naturwissenschaften, Chemie in der Schule 2012, 60, 8–13.
Journal Article
Neese, F.; ; Control of Electronic Properties of Triphenylene by Substitution. Organic Electronics 2012, 13, 71–83.
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Journal Article
Wu, X.; Koslowski, A.; Thiel, W. Semiempirical Quantum Chemical Calculations Accelerated on a Hybrid Multicore CPU-GPU Computing Platform. Journal of Chemical Theory and Computation 2012, 8, 2272–2281.
Journal Article
Liao, R.-Z.; ; ; ; Why Calcium Inhibits Magnesium-Dependent Enzyme Phosphoserine Phosphatase? A Theoretical Study. Theoretical Chemistry Accounts 2012, 131, 1275.
; Book (1)
2012
Book
Asymmetric Organocatalysis 1: Lewis Base and Acid Catalysts; List, B., Ed.; Georg Thieme Verlag KG: Stuttgart, 2012.
Book Chapter (11)
2012
Book Chapter
Schüth, F. Energy Storage Strategies. In Chemical Energy Storage; Schlögl, R., Ed.; Schlögl, R., Series ed.; 2012; pp 35–48.
Book Chapter
Mahlau, M.; List, B. Asymmetric Counteranion-Directed Catalysis (ACDC). In Asymmetric Synthesis II; , , Eds.; , , Series Eds.; Wiley-VCH Verlag GmbH: Weinheim, 2012; pp 79–85.
Book Chapter
Felderhoff, M. Functional Materials for Hydrogen Storage. In Functional materials for sustainable energy applications; Woodhead Publishing: Cambridge, 2012; Vol. 35, pp 217–243.
Book Chapter
List, B.; Liao, S.-H.; ; ; ; The Proline-Catalyzed Mannich Reaction and the Advent of Enamine Catalysis. In Organic Chemistry - Breakthroughs and Perspectives; , , Eds.; , , Series Eds.; Wiley-VCH Verlag & Co. KGaA: Weinheim, 2012; pp 367–384.
Book Chapter
Klussmann, M. Mechanism in Organocatalysis. In Science of Synthesis Asymmetric Organocatalysis 2; List, B., Ed.; List, B., Series ed.; Thieme: Stuttgart, 2012; pp 633–671.
Book Chapter
Reetz, M. T. Directed Evolution of Enzymes. In Enzyme Catalysis in Organic Synthesis; Wiley-VCH: Weinheim, 2012; Vol. 1-3, pp 119–190.
Book Chapter
Atanasov, M.; Ganyushin, D.; Sivalingam, K.; Neese, F. A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions; , , Eds.; , , Series Eds.; Structure and Bonding: Molecular Electronic Structures of Transition Metal Complexes II; Springer: Berlin, Heidelberg, 2012; Vol. 143, pp 149–220.
Book Chapter
Barbatti, M.; ; ; ; ; ; ; Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States. In Handbook of Computational Chemistry; , Ed.; , Series ed.; Springer Science+Business Media B.V.: Dordrecht, 2012; Vol. 3, pp 1175–1213.
Book Chapter
DeBeer, S.; van Gastel, M.; Bill, E.; Ye, S.; Petrenko, T.; Pantazis, D. A.; Neese, F. 4.5 Challenges in Molecular Energy Research. In Chemical Energy Storage; Schlögl, R., Ed.; Schlögl, R., Series ed.; Walter De Gruyter: Berlin, 2012.
Book Chapter
Gopakumar, G.; ; ; Investigations of the Boron Buckyball B80: Bonding Analysis and Chemical Reactivity; , , , Eds.; , , , Series Eds.; Progress in Theoretical Chemistry and Physcis; Springer Science+Business Media B. V.: Dordrecht, The Netherlands, 2012; Vol. 23, pp 265–278.
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Book Chapter
Schmidt, W. Synthetic Inorganic Ion Exchange. In Ion Exchange Technology I; , , Eds.; , , Series Eds.; Springer, 2012; Vol. 1, pp 277–298.
Proceedings (2)
2012
Proceedings
Barbatti, M.; Cis-Trans Photoisomerization of Azobenzene Upon Excitation to the S1 State: an Ab Initio Molecular Dynamics and QM/MM Study; , , Series Eds.; 2012; Vol. 8463, p 846318.
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Proceedings
Thiel, W.; Rotation-Vibration Energy Level Cluster Formation in Three- and Four-Atomic Molecules, 1504th ed.; AIP Journals: Rhodes, 2012; Vol. 1504, pp 491–494.
; Conference Paper (1)
2012
Conference Paper
Urbanczyk, R.; Peinecke, K.; Felderhoff, M.; Hauschild, K.; Hydridspeicher aus Al-Legierungen zur Entkopplung von Wärme und Strom. In Proceedings of the 19. Symposium – Nutzung Regenerativer Energiequellen und Wasserstofftechnik, 2012; pp 111–115.