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Nr. Titel Autor Jahr
1 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
2 Kinetics of Electrophilic Alkylations of Barbiturate and Thiobarbiturate Anions Schade, Alexander et al. 2017
3 Accurate calculation of binding energies for molecular clusters - Assessment of different models Friedrich, Joachim* et al. 2016
4 First UHF Implementation of the Incremental Scheme for Open-Shell Systems Anacker, Tony et al. 2016
5 Incremental Scheme for Open-Shell Systems Anacker, Tony 2016
6 Molecular Dipole Moments within the Incremental Scheme Using the Domain-Specific Basis-Set Approach Fiedler, Benjamin et al. 2016
7 Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme Anacker, Tony et al. 2016
8 Quantum cluster equilibrium model of N-methylformamide-water binary mixtures von Domaros, Michael et al. 2016
9 Strategies for Computational Investigation of Reaction Mechanisms in Organic and Polymer Chemistry Using Static Quantum Mechanics Tchernook, Ivan 2016
10 The incremental method - theory and applications in chemistry and physics Fiedler, Benjamin et al. 2016
11 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
12 4,5-Dihydro-1,2,3-oxadiazole: A Very Elusive Key Intermediate in Various Important Chemical Transformations Banert, Klaus* et al. 2015
13 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
14 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
15 Rearrangement Reactions of Tritylcarbenes: Surprising Ring Expansion and Computational Investigation Banert, Klaus* et al. 2015
16 Incremental evaluation of coupled cluster dipole polarizabilities Friedrich, Joachim et al. 2014
17 Korrelationsverfahren für große Systeme Friedrich, Joachim Friedrich 2014
18 Modeling Twin Polymerization processes by ReaxFF Schönfelder, Thomas et al. 2014
19 New Accurate Benchmark Energies for Large Water Clusters -- DFT is Better Than Expected Friedrich, Joachim et al. 2014
20 Nitrogen and Sulfur Compounds in Atmospheric Aerosols: A New Parametrization of Polarized Molecular Orbital Model Chemistry and Its Validation against Converged CCSD(T) Calculations for Large Clusters Fiedler, Luke et al. 2014
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