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401 Publikationen

2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1585358
Stoll I, Brodbeck R, Wiegmann S, Eberhard J, Kerruth S, Neumann B, Stammler H-G, Mattay J (2008)
New Fluorescent Calix Crown Ethers, Part II: Synthesis and Complex Formation in Solution and the Solid State.
European Journal of Organic Chemistry 2008(31): 5231-5238.
PUB | DOI | WoS
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588425
Brodbeck R, Tönsing T, Andrae D, Volkmer D (2008)
Molecular dynamics simulations of dendrimer-encapsulated alpha-keggin ions in trichloromethane solution.
JOURNAL OF PHYSICAL CHEMISTRY B 112(16): 5153-5162.
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1587414
Faraji S, Koeppel H, Eisfeld W, Mahapatra S (2008)
Towards a higher-order description of Jahn-Teller coupling effects in molecular spectroscopy: The (A)over-tilde(2)E '' state of NO3.
CHEMICAL PHYSICS 347(1-3): 110-119.
PUB | DOI | WoS
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588385
Stoll I, Mix A, Rozhenko AB, Neumann B, Stammler H-G, Mattay J (2008)
Kemp's triacid attached to octa-O-methyl resorc[4]arenes: conformations in solution and comparative binding studies with various 2-amino pyridines.
Tetrahedron 64(17): 3813-3825.
PUB | DOI | WoS
 
2008 | Kurzbeitrag Konferenz / Poster | Veröffentlicht | PUB-ID: 1795648
Eisfeld W (2008)
PHYS 74-Taming of a beast: Multimode nonadiabatic excited state dynamics in NO3.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235: 74-PHYS.
PUB | WoS
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1587702
Schoeller W, Frey GD, Bertrand G (2008)
Tuning the nucleophilicity in cyclopropenylidenes.
CHEMISTRY-A EUROPEAN JOURNAL 14(15): 4711-4718.
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1586095
Schröder T, Brodbeck R, Letzel M, Mix A, Schnatwinkel B, Tonigold M, Volkmer D, Mattay J (2008)
A self-assembling metallosupramolecular cage based on cavitand-terpyridine subunits.
TETRAHEDRON LETTERS 49(41): 5939-5942.
PUB | DOI | WoS
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897017
Manthe U (2008)
The state averaged multiconfigurational time-dependent Hartree approach: Vibrational state and reaction rate calculations.
JOURNAL OF CHEMICAL PHYSICS 128(6): 064108.
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897010
Viel A, Eisfeld W, Evenhuis CR, Manthe U (2008)
Photoionization-induced dynamics of the ammonia cation studied by wave packet calculations using curvilinear coordinates.
Chemical Physics 347(1-3): 331-339.
PUB | DOI | WoS
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897015
Manthe U (2008)
A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces.
JOURNAL OF CHEMICAL PHYSICS 128(16): 164116.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897023
Evenhuis C, Nyman G, Manthe U (2007)
Quantum dynamics of the CH3 fragment: A curvilinear coordinate system and kinetic energy operators.
Journal of Chemical Physics 127(14): 144302.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897019
Nyman G, van Harrevelt R, Manthe U (2007)
Thermochemistry and accurate quantum reaction rate calculations for H-2/HD/D-2 + CH3.
JOURNAL OF PHYSICAL CHEMISTRY A 111(41): 10331-10337.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1632757
Schmidt A, Habeck T, Snovydovych B, Eisfeld W (2007)
Addition reactions and redox esterifications of carbonyl compounds by N-Heterocyclic carbenes of indazole.
ORGANIC LETTERS 9(18): 3515-3518.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1596070
Vignolle J, Gornitzka H, Maron L, Schoeller W, Bourissou D, Bertrand G (2007)
Transient palladadiphosphanylcarbenes: Singlet carbenes with an "inverse" electronic configuration (p(pi)(2) instead of sigma(2)) and unusual transannular metal-carbene interactions (pi(C -> Pd) donation and sigma(Pd -> C) back-donation).
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129(4): 978-985.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1630864
Rodik R, Rozhenko AB, Boyko V, Pirozhenko VV, Danylyuk O, Suwinska K, Lipkowski J, Kalchenko V (2007)
Calix[4]arenequinazolinones. Synthesis and structure.
TETRAHEDRON 63(46): 11451-11457.
PUB | DOI | WoS
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1631261
Mueller AM, Avlasevich YS, Schoeller W, Muellen K, Bardeen CJ (2007)
Exciton fission and fusion in bis(tetracene) molecules with different covalent linker structures.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129(46): 14240-14250.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1593069
Zhou J, Garand E, Eisfeld W, Neumark DM (2007)
Slow electron velocity-map imaging spectroscopy of the 1-propynyl radical.
JOURNAL OF CHEMICAL PHYSICS 127(3): 034304.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1593765
Mahapatra S, Eisfeld W, Koeppel H (2007)
Effects of multimode Jahn-Teller coupling on the photodetachment spectrum of nitrate anion (NO3-).
CHEMICAL PHYSICS LETTERS 441(1-3): 7-15.
PUB | DOI | WoS
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897031
Huarte-Larranaga F, Manthe U (2007)
Thermal rate constants for polyatomic reactions: First principles quantum theory.
ZEITSCHRIFT FÜR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS 221(2): 171-213.
PUB | DOI | WoS
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897027
van Harrevelt R, Nyman G, Manthe U (2007)
Accurate quantum calculations of the reaction rates for H/D+CH4.
JOURNAL OF CHEMICAL PHYSICS 126(8): 084303.
PUB | DOI | WoS | PubMed | Europe PMC
 

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