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Nuclear Physics, Section A, ISSN 0375-9474, 12/2015, Volume 944, pp. 551 - 577
The current status of relativistic electronic structure theory for superheavy elements is reviewed. Recent developments in relativistic quantum theory have... 
Superheavy elements | Relativistic and quantum electrodynamic effects | Electronic structure theory | VACUUM POLARIZATION | HEAVIEST ELEMENTS | PHYSICS, NUCLEAR | BINDING-ENERGIES | R-PROCESS | PERTURBATION-THEORY | MEAN-FIELD THEORY | STATE ELECTRON CONFIGURATION | COUPLED-CLUSTER CALCULATIONS | SELF-ENERGY | MOLECULAR-PROPERTIES | Quantum theory
Journal Article
Physical Review Letters, ISSN 0031-9007, 04/2019, Volume 122, Issue 16, p. 160801
Precise experimental setups for detection of variation of fundamental constants, scalar dark matter, or gravitational waves, such as laser interferometers,... 
RELATIVISTIC DOUBLE-ZETA | GAUSSIAN-BASIS SET | SPECTROSCOPY | QUADRUPLE-ZETA | MASS | TRIPLE-ZETA | LATTICE-PARAMETER | ATOMS | ELASTIC-CONSTANTS | ZETA BASIS-SETS | To be checked by Faculty | PHYSICS, MULTIDISCIPLINARY | Resonant mass detectors | Dark matter | Gravitational waves | Dependence | Materials selection | Diatomic molecules | Lattice parameters | Interferometers
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 03/2018, Volume 57, Issue 10, pp. 2570 - 2574
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 05/2013, Volume 117, Issue 21, pp. 4472 - 4485
Journal Article
NANOSCALE, ISSN 2040-3364, 07/2019, Volume 11, Issue 27, pp. 12878 - 12888
We present molecular beam electric deflection experiments on neutral gold-doped tin clusters. The experimental SnNAu (N = 6-16) cluster beam profiles are... 
PHYSICS, APPLIED | MATERIALS SCIENCE, MULTIDISCIPLINARY | QUADRUPLE-ZETA | TRIPLE-ZETA | NANOSCIENCE & NANOTECHNOLOGY | CONVERGENT BASIS-SETS | CHEMISTRY, MULTIDISCIPLINARY | GENERALIZED GRADIENT APPROXIMATION | ELEMENTS | PSEUDOPOTENTIALS | TEMPERATURE | CONSISTENT BASIS-SETS | ZETA BASIS-SETS | ELECTRONIC-STRUCTURE
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 03/2018, Volume 57, Issue 10, p. n/a
Fluxional Molecules In their Communication on page 2570 ff., L. F. Pašteka, T. Fallon et al. describe a new synthetic route towards bullvalenes and analyze the... 
density functional calculations | cycloaddition | photochemistry | sigmatropic rearrangement | valence isomerization | Isomerization | Analysis | Chemical synthesis | Chemical compounds
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 11/2019, Volume 21, Issue 44, pp. 24478 - 24488
Molecular beam electric deflection experiments on neutral single copper-doped tin clusters are presented at different cryogenic nozzle temperatures. The... 
TRANSITION | PSEUDOPOTENTIALS | BEAM DEFLECTION | TEMPERATURE | CONSISTENT BASIS-SETS | QUADRUPLE-ZETA | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TRIPLE-ZETA | GROUP-11 | CONVERGENT BASIS-SETS | GENERALIZED GRADIENT APPROXIMATION
Journal Article
Angewandte Chemie, ISSN 0044-8249, 03/2018, Volume 130, Issue 10, p. n/a
Fluxionale Moleküle In der Zuschrift auf S. 2600 ff. präsentieren L. F. Pašteka, T. Fallon et al. eine neue Syntheseroute zu Bullvalenen und analysieren die... 
Sigmatrope Umlagerungen | Photochemie | Valenzisomerisierung | Cycloadditionen | Dichtefunktionalrechnungen
Journal Article
ISSN 2040-3364, 7/2019, Volume 11, Issue 27, pp. 12878 - 12888
We present molecular beam electric deflection experiments on neutral gold-doped tin clusters. The experimental Sn N Au ( N = 6-16) cluster beam profiles are... 
Journal Article
ORGANIC LETTERS, ISSN 1523-7060, 12/2019, Volume 21, Issue 23, pp. 9574 - 9578
Substituted bullvalenes are dynamic shape-shifting molecules that exist within complex reaction networks. Herein, we report the synthesis of di- and... 
REARRANGEMENT | CHEMISTRY, ORGANIC | ENERGIES | CATION
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 44, pp. 24478 - 24488
Molecular beam electric deflection experiments on neutral single copper-doped tin clusters are presented at different cryogenic nozzle temperatures. The... 
Transition metals | Computer simulation | Electron transfer | Molecular orbitals | Cryogenic temperature | Genetic algorithms | Electronic structure | Clusters | Nozzles | Density functional theory | Molecular beams | Coordination compounds | Copper | Manganese
Journal Article
Nanoscale, ISSN 2040-3364, 01/2019, Volume 11, Issue 27, pp. 12878 - 12888
We present molecular beam electric deflection experiments on neutral gold-doped tin clusters. The experimental SnNAu (N = 6–16) cluster beam profiles are... 
Gold | Computer simulation | Clusters | Density functional theory | Molecular beams | Charge transfer | Genetic algorithms
Journal Article
Angewandte Chemie, ISSN 0044-8249, 03/2018, Volume 130, Issue 10, pp. 2600 - 2604
Herein we detail a practical synthesis of bullvalene and a variety of mono‐ and disubstituted analogues through cobalt‐catalysed [6+2] cycloaddition of... 
Sigmatrope Umlagerungen | Photochemie | Valenzisomerisierung | Cycloadditionen | Dichtefunktionalrechnungen | Methane | Cobalt | Analysis | Photochemicals | Cycloaddition | Synthesis | Network analysis | Alkynes
Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 12/2015, Volume 2015, Issue 36, pp. 7935 - 7942
The rotational barriers of four 2,2-diaryl-1,1-binaphthalenes have been determined on the basis of peak volume integration in variable-temperature H-1 EXSY NMR... 
Conformation analysis | Substituent effects | Atropisomerism | Dynamic NMR spectroscopy | Computer chemistry | BINOL | STABILITY | DISPERSION | CHEMISTRY, ORGANIC | BARRIERS | SIMULATION | HYBRID DENSITY FUNCTIONALS | STEREODYNAMICS | VALUES | CHIRALITY
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 02/2020, Volume 142, Issue 8, pp. 3680 - 3685
Boronate ester bullvalenes are now accessible in two to four operationally simple steps. This unlocks late-stage diversification through Suzuki cross-coupling... 
EFFICIENT | CHEMISTRY, MULTIDISCIPLINARY | CYCLOADDITIONS
Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 12/2015, Volume 2015, Issue 36, pp. 7935 - 7942
The rotational barriers of four 2,2′‐diaryl‐1,1′‐binaphthalenes have been determined on the basis of peak volume integration in variable‐temperature 1H EXSY... 
Conformation analysis | Substituent effects | Atropisomerism | Dynamic NMR spectroscopy | Computer chemistry
Journal Article