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398 Publikationen

2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2289542
Manthe U (2011)
Accurate calculations of reaction rates: predictive theory based on a rigorous quantum transition state concept.
Molecular Physics 109(11): 1415-1426.
PUB | DOI | WoS
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2094465
Eisfeld W (2011)
Highly accurate determination of the electron affinity of SF6 and analysis of structure and photodetachment spectrum of SF6-.
The Journal of Chemical Physics 134(5): 054303.
PUB | DOI | WoS | PubMed | Europe PMC
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2093417
Turcheniuk KV, Rozhenko AB, Shevchenko IV (2011)
Synthesis and Some Chemical Properties of a 1,2 lambda(3)sigma(3)-Thiaphosphirane.
European Journal of Inorganic Chemistry 2011(11): 1762-1767.
PUB | DOI | WoS
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003194
Koch V, Andrae D (2011)
Static Electric Dipole Polarizabilities for Isoelectronic Sequences.
International Journal of Quantum Chemistry 111(4): 891-903.
PUB | DOI | WoS
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1988060
Michelswirth M, Räkers M, Schnatwinkel B, Brodbeck R, Mattay J, Neumann M, Heinzmann U (2011)
Formation of Heterodimeric Resorcin[4]arene Capsules on Surfaces: An X-ray Photoelectron Spectroscopy Investigation.
Chem. Phys. Chem. 12(4): 785-789.
PUB | DOI | WoS | PubMed | Europe PMC
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2093559
Schoeller W (2011)
Computational Insight into the Rh-Mediated Activation of White Phosphorus.
Inorganic Chemistry 50(1): 22-29.
PUB | DOI | WoS | PubMed | Europe PMC
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2093934
Schoeller W (2011)
Neutral Carbene Analogues of Group 13 Elements: The Dimerization Reaction to a Biradicaloid.
Inorganic Chemistry 50(6): 2629-2633.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1929712
Schoeller W (2010)
Dispersion-corrected energy barriers for silylene addition to white phosphorus, a density functional investigation into substituent effects.
THEORETICAL CHEMISTRY ACCOUNTS 127(3): 223-229.
PUB | DOI | WoS
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1929197
Schiffel G, Manthe U (2010)
A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality.
JOURNAL OF CHEMICAL PHYSICS 133(17): 174124.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896981
Schiffel G, Manthe U, Nyman G (2010)
Full-Dimensional Quantum Reaction Rate Calculations for H+CH4 -> H2+CH3 on a Recent Potential Energy Surface.
JOURNAL OF PHYSICAL CHEMISTRY A 114(36): 9617-9622.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796599
Pustovit YM, Alekseenko AN, Volkov ND, Fedorchuk MY, Rozhenko AB (2010)
Halogen migration vs. hydrogen halogenide elimination in reactions of 1-chloro-2,2,2-trifluoroethansulfonyl chloride and 1,2,2,2-tetrafluoroethansulfonyl fluoride with amines: theoretical and experimental investigation.
JOURNAL OF FLUORINE CHEMISTRY 131(2): 254-260.
PUB | DOI | WoS
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896991
Schiffel G, Manthe U (2010)
Quantum dynamics of the H+CH4 -> H2+CH3 reaction in curvilinear coordinates: Full-dimensional and reduced dimensional calculations of reaction rates.
JOURNAL OF CHEMICAL PHYSICS 132(8): 084103.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796125
Tarasevych A, Shevchenko I, Rozhenko AB, Roeschenthaler G-V (2010)
Synthesis of 1,3-Diphospha-2,3-dihydro-1H-phenalenes.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2010(10): 1552-1558.
PUB | DOI | WoS
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796593
Timoshenko VM, Siry SA, Rozhenko AB, Shermolovich YG (2010)
Asymmetric induction in thia-Diels-Alder reactions of chiral polyfluoroalkylthionocarboxylates.
JOURNAL OF FLUORINE CHEMISTRY 131(2): 172-183.
PUB | DOI | WoS
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896988
Schiffel G, Manthe U (2010)
Communications: A rigorous transition state based approach to state-specific reaction dynamics: Full-dimensional calculations for H+CH4 -> H2+CH3.
JOURNAL OF CHEMICAL PHYSICS 132(19): 191101.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1793858
Schoeller W (2010)
van der Waals interactions in sterically crowded disilenes.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 957(1-3): 66-71.
PUB | DOI | WoS
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896985
Schiffel G, Manthe U (2010)
On direct product based discrete variable representations for angular coordinates and the treatment of singular terms in the kinetic energy operator.
CHEMICAL PHYSICS 374(1-3): 118-125.
PUB | DOI | WoS
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1929113
Jutzi P, Leszczynska K, Mix A, Neumann B, Rummel B, Schoeller W, Stammler H-G (2010)
Synthesis and Characterization of the Ferrio-Substituted Silicon(II) Compound Me5C5(CO)(2)FeSiC5Me5.
ORGANOMETALLICS 29(21): 4759-4761.
PUB | DOI | WoS
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1635979
Stoll I, Brodbeck R, Neumann B, Stammler H-G, Mattay J (2009)
Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation.
CRYSTENGCOMM 11(2): 306-317.
PUB | DOI | WoS
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1634408
Jutzi P, Leszczynska K, Mix A, Neumann B, Schoeller W, Stammler H-G (2009)
Reaction of the (Pentamethylcyclopentadienyl)silicon(II) Cation with a Sterically Encumbered beta-Diketiminato Anion: Unexpected Formation of a Tricyclic Silicon(IV) Compound.
ORGANOMETALLICS 28(7): 1985-1987.
PUB | DOI | WoS
 

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