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Nr. Titel Autor Jahr
1 3. Structure and Theory Kitschke, Philipp et al. 2018
2 Mechanistic Aspects on Molecular Structure Formation of Polymeric Networks from Diisocyanates with Amidine Compounds Laue, Andreas et al. 2018
3 Nitrogen-containing porous carbon materials by twin polymerization Schliebe, Christian et al. 2018
4 Experimental observation and quantum-chemical investigation of thallium(I) (Z)-methanediazotate: synthesis of a long sought and highly reactive species Banert, Klaus* et al. 2017
5 Kinetics of Electrophilic Alkylations of Barbiturate and Thiobarbiturate Anions Schade, Alexander et al. 2017
6 Site Dependent Atom Type ReaxFF for the Proton-Catalyzed Twin Polymerization Prehl, Janett* et al. 2017
7 Ab initio study of the trimethylaluminum atomic layer deposition process on carbon nanotubes—An alternative initial step Förster, Anja et al. 2016
8 Accurate calculation of binding energies for molecular clusters - Assessment of different models Friedrich, Joachim* et al. 2016
9 First UHF Implementation of the Incremental Scheme for Open-Shell Systems Anacker, Tony et al. 2016
10 Incremental Scheme for Open-Shell Systems Anacker, Tony 2016
11 Molecular Dipole Moments within the Incremental Scheme Using the Domain-Specific Basis-Set Approach Fiedler, Benjamin et al. 2016
12 Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme Anacker, Tony et al. 2016
13 Quantum cluster equilibrium model of N-methylformamide-water binary mixtures von Domaros, Michael et al. 2016
14 Strategies for Computational Investigation of Reaction Mechanisms in Organic and Polymer Chemistry Using Static Quantum Mechanics Tchernook, Ivan 2016
15 The incremental method - theory and applications in chemistry and physics Fiedler, Benjamin et al. 2016
16 Thermodynamics of Metal Nanoparticles: Energies and Enthalpies of Formation of Magnesium Clusters and Nanoparticles as Large as 1.3 nm Duanmu, Kaining et al. 2016
17 Understanding Stacking Interactions between an Aromatic Ring and Nucleobases in Aqueous Solution: Experimental and Theoretical Study Kataev, Evgeny A.* et al. 2016
18 4,5-Dihydro-1,2,3-oxadiazole: A Very Elusive Key Intermediate in Various Important Chemical Transformations Banert, Klaus* et al. 2015
19 Kinetic Study on the Catalytic Effect of Ionic Liquids on the Polymerization of Methyl Methacrylate Co-initiated by Imine Bases. Polenz, Ingmar et al. 2015
20 Quantum chemical investigation of the counter anion in the acid catalyzed initiation of 2,2'-spirobi[4H-1,3,2,-benzodioxasiline] polymerization Tchernook, Ivan et al. 2015
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Anzahl der Dokumente: 45

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