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403 Publikationen

2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1587657
Eisfeld, Wolfgang, and Francisco, Joseph S. “Excited states and photodissociation of hydroxymethyl hydroperoxide”. JOURNAL OF CHEMICAL PHYSICS 128.17 (2008): 174304.
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1586577
Pirozhenko, V. V., Rozhenko, A. B., Avdeenko, A. P., Konovalova, S. A., and Santalova, A. A. “Z, E-isomerization mechanism for N-arylthio-1,4-benzoquinonimines: DNMR and DFT investigations”. MAGNETIC RESONANCE IN CHEMISTRY 46.9 (2008): 811-817.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1585358
Stoll, Ion, Brodbeck, Ralf, Wiegmann, Sebastian, Eberhard, Jens, Kerruth, Silke, Neumann, Beate, Stammler, Hans-Georg, and Mattay, Jochen. “New Fluorescent Calix Crown Ethers, Part II: Synthesis and Complex Formation in Solution and the Solid State”. European Journal of Organic Chemistry 2008.31 (2008): 5231-5238.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588425
Brodbeck, Ralf, Tönsing, Thorsten, Andrae, Dirk, and Volkmer, Dirk. “Molecular dynamics simulations of dendrimer-encapsulated alpha-keggin ions in trichloromethane solution”. JOURNAL OF PHYSICAL CHEMISTRY B 112.16 (2008): 5153-5162.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1587414
Faraji, Shirin, Koeppel, Horst, Eisfeld, Wolfgang, and Mahapatra, Susanta. “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 (2008): 110-119.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588385
Stoll, Ion, Mix, Andreas, Rozhenko, Alexander B., Neumann, Beate, Stammler, Hans-Georg, and Mattay, Jochen. “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 (2008): 3813-3825.
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2008 | Kurzbeitrag Konferenz / Poster | Veröffentlicht | PUB-ID: 1795648
Eisfeld, Wolfgang. “PHYS 74-Taming of a beast: Multimode nonadiabatic excited state dynamics in NO3”. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235 (2008): 74-PHYS.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1587702
Schoeller, Wolfgang, Frey, Guido D., and Bertrand, Guy. “Tuning the nucleophilicity in cyclopropenylidenes”. CHEMISTRY-A EUROPEAN JOURNAL 14.15 (2008): 4711-4718.
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1586095
Schröder, Tobias, Brodbeck, Ralf, Letzel, Matthias, Mix, Andreas, Schnatwinkel, Bjoern, Tonigold, Markus, Volkmer, Dirk, and Mattay, Jochen. “A self-assembling metallosupramolecular cage based on cavitand-terpyridine subunits”. TETRAHEDRON LETTERS 49.41 (2008): 5939-5942.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897017
Manthe, Uwe. “The state averaged multiconfigurational time-dependent Hartree approach: Vibrational state and reaction rate calculations”. JOURNAL OF CHEMICAL PHYSICS 128.6 (2008): 064108: 064108.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897010
Viel, Alexandra, Eisfeld, Wolfgang, Evenhuis, Christian R., and Manthe, Uwe. “Photoionization-induced dynamics of the ammonia cation studied by wave packet calculations using curvilinear coordinates”. Chemical Physics 347.1-3 (2008): 331-339.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897015
Manthe, Uwe. “A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces”. JOURNAL OF CHEMICAL PHYSICS 128.16 (2008): 164116: 164116.
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2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897023
Evenhuis, Chris, Nyman, Gunnar, and Manthe, Uwe. “Quantum dynamics of the CH3 fragment: A curvilinear coordinate system and kinetic energy operators”. Journal of Chemical Physics 127.14 (2007): 144302: 144302.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897019
Nyman, Gunnar, van Harrevelt, Rob, and Manthe, Uwe. “Thermochemistry and accurate quantum reaction rate calculations for H-2/HD/D-2 + CH3”. JOURNAL OF PHYSICAL CHEMISTRY A 111.41 (2007): 10331-10337.
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2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1632757
Schmidt, Andreas, Habeck, Tobias, Snovydovych, Bohdan, and Eisfeld, Wolfgang. “Addition reactions and redox esterifications of carbonyl compounds by N-Heterocyclic carbenes of indazole”. ORGANIC LETTERS 9.18 (2007): 3515-3518.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1630864
Rodik, R., Rozhenko, A. B., Boyko, V., Pirozhenko, V. V., Danylyuk, O., Suwinska, K., Lipkowski, J., and Kalchenko, V. “Calix[4]arenequinazolinones. Synthesis and structure”. TETRAHEDRON 63.46 (2007): 11451-11457.
PUB | DOI | WoS
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1631261
Mueller, Astrid M., Avlasevich, Yuri S., Schoeller, Wolfgang, Muellen, Klaus, and Bardeen, Christopher J. “Exciton fission and fusion in bis(tetracene) molecules with different covalent linker structures”. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129.46 (2007): 14240-14250.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1596070
Vignolle, Joan, Gornitzka, Heinz, Maron, Laurent, Schoeller, Wolfgang, Bourissou, Didier, and Bertrand, Guy. “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 (2007): 978-985.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1593069
Zhou, Jia, Garand, Etienne, Eisfeld, Wolfgang, and Neumark, Daniel M. “Slow electron velocity-map imaging spectroscopy of the 1-propynyl radical”. JOURNAL OF CHEMICAL PHYSICS 127.3 (2007): 034304.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1593765
Mahapatra, Susanta, Eisfeld, Wolfgang, and Koeppel, Horst. “Effects of multimode Jahn-Teller coupling on the photodetachment spectrum of nitrate anion (NO3-)”. CHEMICAL PHYSICS LETTERS 441.1-3 (2007): 7-15.
PUB | DOI | WoS
 

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