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42 Publikationen

2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2916936
Schröder, L., Oldemeyer, S., & Kottke, T. (2018). Time-Resolved Infrared Spectroscopy on Plant Cryptochrome—Relevance of Proton Transfer and ATP Binding for Signaling. The Journal of Physical Chemistry A, 122(1), 140-147. doi:10.1021/acs.jpca.7b10249
PUB | DOI | WoS | PubMed | Europe PMC
 
2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697372
Dette, H. P., Qi, M., Schröder, D. C., Godt, A., & Koop, T. (2014). Glass-Forming Properties of 3-Methylbutane-1,2,3-tricarboxylic Acid and Its Mixtures with Water and Pinonic Acid. The Journal of Physical Chemistry A, 118(34), 7024-7033. doi:10.1021/jp505910w
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2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2671330
Rozhenko, A. B., Schoeller, W., & Leszczynski, J. (2014). On the Stability of Perfluoroalkyl-Substituted Singlet Carbenes: A Coupled-Cluster Quantum Chemical Study. The Journal of Physical Chemistry A, 118(8), 1479-1488. doi:10.1021/jp408778x
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2578580
Ramos, L. A., Ulic, S. E., Romano, R. M., Erben, M. F., Vishnevskiy, Y., Reuter, C., Mitzel, N. W., et al. (2013). Spectroscopic Characterization and Constitutional and Rotational Isomerism of ClC(O)SCN and ClC(O)NCS. The Journal Of Physical Chemistry A, 117(11), 2383-2399. doi:10.1021/jp400281g
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2636062
Wodraszka, R., & Manthe, U. (2013). Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates. The Journal Of Physical Chemistry A, 117(32), 7246-7255. doi:10.1021/jp401129t
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2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2622262
Ramos, L. A., Ulic, S. E., Romano, R. M., Vishnevskiy, Y., Mitzel, N. W., Beckers, H., Willner, H., et al. (2013). Chlorodifluoroacetyl Isothiocyanate, ClF2CC(O)NCS: Preparation and Structural and Spectroscopic Studies. The Journal Of Physical Chemistry A, 117(27), 5597-5606. doi:10.1021/jp403549f
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2636066
Wittenbrink, N., Ndome, H., & Eisfeld, W. (2013). Toward Spin-Orbit Coupled Diabatic Potential Energy Surfaces for Methyl Iodide Using Effective Relativistic Coupling by Asymptotic Representation. The Journal Of Physical Chemistry A, 117(32), 7408-7420. doi:10.1021/jp401438x
PUB | DOI | WoS | PubMed | Europe PMC
 
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2548438
Ramos, L. A., Ulic, S. E., Romano, R. M., Vishnevskiy, Y., Berger, R., Mitzel, N. W., Beckers, H., et al. (2012). Chlorodifluoroacetyl Isocyanate, ClF2CC(O)NCO: Preparation and Structural and Spectroscopic Studies. The Journal Of Physical Chemistry A, 116(47), 11586-11595. doi:10.1021/jp3096055
PUB | DOI | WoS | PubMed | Europe PMC
 
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2548457
Wodraszka, R., Palma, J., & Manthe, U. (2012). Vibrational Dynamics of the CH4 center dot F(-)Complex. The Journal Of Physical Chemistry A, 116(46), 11249-11259. doi:10.1021/jp3052642
PUB | DOI | WoS | PubMed | Europe PMC
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2289487
Evenhuis, C. R., & Manthe, U. (2011). Photodissociation of CH3I: A Full-Dimensional (9D) Quantum Dynamics Study. The Journal of Physical Chemistry A, 115(23), 5992-6001. doi:10.1021/jp1103998
PUB | DOI | WoS | PubMed | Europe PMC
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003413
Oelgemoeller, M., Mattay, J., & Goerner, H. (2011). Direct Photooxidation and Xanthene-Sensitized Oxidation of Naphthols: Quantum Yields and Mechanism. The Journal of Physical Chemistry A, 115(3), 280-285. doi:10.1021/jp108832x
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. doi:10.1021/jp911880u
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796250
Köhler, M., Brockhinke, A., Braun-Unkhoff, M., & Kohse-Höinghaus, K. (2010). Quantitative Laser Diagnostic and Modeling Study of C2 and CH Chemistry in Combustion. JOURNAL OF PHYSICAL CHEMISTRY A, 114(14), 4719-4734. doi:10.1021/jp908242y
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796584
Liu, N. - N., & Loesch, H. - J. (2010). Kinematic Slowing and Electrostatic Guiding of KBr Molecules Formed by the Reactive Collision Process: K + HBr -> KBr + H. JOURNAL OF PHYSICAL CHEMISTRY A, 114(9), 3247-3255. doi:10.1021/jp909420n
PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1591575
Francisco, J. S., & Eisfeld, W. (2009). Atmospheric Oxidation Mechanism of Hydroxymethyl Hydroperoxide. JOURNAL OF PHYSICAL CHEMISTRY A, 113(26), 7593-7600. doi:10.1021/jp901735z
PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1589018
Botta, B., Fraschetti, C., D'Acquarica, I., Speranza, M., Novara, F. R., Mattay, J., & Letzel, M. (2009). Gas-Phase Enantioselectivity of Chiral N-Linked Peptidoresorc[4]arene Isomers toward Dipeptides. Journal of Physical Chemistry A, 113(52), 14625-14629. doi:10.1021/jp904374h
PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896999
Andersson, S., Nyman, G., Arnaldsson, A., Manthe, U., & Jonsson, H. (2009). Comparison of Quantum Dynamics and Quantum Transition State Theory Estimates of the H+CH4 Reaction Rate. Journal of Physical Chemistry A, 113(16), 4468-4478. doi:10.1021/jp811070w
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588263
Zobrist, B., Marcolli, C., Peter, T., & Koop, T. (2008). Heterogeneous ice nucleation in aqueous solutions: the role of water activity. JOURNAL OF PHYSICAL CHEMISTRY A, 112(17), 3965-3975. doi:10.1021/jp7112208
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1586126
Wang, J., Struckmeier, U., Yang, B., Cool, T. A., Oßwald, P., Kohse-Höinghaus, K., Kasper, T., et al. (2008). Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame. JOURNAL OF PHYSICAL CHEMISTRY A, 112(39), 9255-9265. doi:10.1021/jp8011188
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. doi:10.1021/jp071892t
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1594368
Hansen, N., Kasper, T., Klippenstein, S. J., Westmoreland, P. R., Law, M. E., Taatjes, C. A., Kohse-Höinghaus, K., et al. (2007). Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame. JOURNAL OF PHYSICAL CHEMISTRY A, 111(19), 4081-4092. doi:10.1021/jp0683317
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1594379
Oßwald, P., Struckmeier, U., Kasper, T., Kohse-Höinghaus, K., Wang, J., Cool, T. A., Hansen, N., et al. (2007). Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters. JOURNAL OF PHYSICAL CHEMISTRY A, 111(19), 4093-4101. doi:10.1021/jp068337w
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2338999
Neumann, S., Eisfeld, W., Sobolewski, A. L., & Domcke, W. (2006). Resonance Raman spectrum of the solvated electron in methanol: Simulation within a cluster model. JOURNAL OF PHYSICAL CHEMISTRY A, 110(17), 5613-5619. doi:10.1021/jp0574549
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2339005
Eisfeld, W. (2006). Calculation of the vibrationally resolved electronic absorption spectrum of the propargyl radical (H2CCCH). JOURNAL OF PHYSICAL CHEMISTRY A, 110(11), 3903-3910. doi:10.1021/jp056683s
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2338986
Teslja, A., Dagdigian, P. J., Banck, M., & Eisfeld, W. (2006). Experimental and theoretical study of the electronic spectrum of the methylene amidogen radical (H2CN): Verification of the (2)A(1) <- B-2(2) assignment. JOURNAL OF PHYSICAL CHEMISTRY A, 110(25), 7826-7834. doi:10.1021/jp061578j
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1599719
Hansen, N., Klippenstein, S. J., Miller, J. A., Wang, J., Cool, T. A., Law, M. E., Westmoreland, P. R., et al. (2006). Identification of C5Hx isomers in fuel-rich flames by photoionization mass spectrometry and electronic structure calculations. JOURNAL OF PHYSICAL CHEMISTRY A, 110(13), 4376-4388. doi:10.1021/jp0569685
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1873084
Brockhinke, A., Letzgus, M., Rinne, S., & Kohse-Höinghaus, K. (2006). Energy transfer in the d(3)Pi(g)-a(3)Pi(u) (0-0) swan bands of C2: Implications for quantitative measurements. JOURNAL OF PHYSICAL CHEMISTRY A, 110(9), 3028-3035. doi:10.1021/jp055553g
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1600102
Taatjes, C. A., Hansen, N., Miller, J. A., Cool, T. A., Wang, J., Westmoreland, P. R., Law, M. E., et al. (2006). Combustion chemistry of enols: Possible ethenol precursors in flames. JOURNAL OF PHYSICAL CHEMISTRY A, 110(9), 3254-3260. doi:10.1021/jp0547313
PUB | DOI | WoS | PubMed | Europe PMC
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380339
Knopf, D. A., Luo, B. P., Krieger, U. K., & Koop, T. (2005). Reply to "Comment on the 'Thermodynamic dissociation constant of the bisulfate ion from Raman and ion interaction modeling studies of aqueous sulfuric acid at low temperatures'''. JOURNAL OF PHYSICAL CHEMISTRY A, 109(11), 2707-2709. doi:10.1021/jp040300t
PUB | DOI | WoS
 
2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1607825
Bowen, B. P., Scruggs, A., Enderlein, J., Sauer, M., & Woodbury, N. (2004). Implementation of neural networks for the identification of single molecules. JOURNAL OF PHYSICAL CHEMISTRY A, 108(21), 4799-4804. doi:10.1021/jp036456v
PUB | DOI | WoS
 
2003 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1611270
Chiavarino, B., Crestoni, M. E., Fornarini, S., & Kuck, D. (2003). Cation-pi interactions in the gas phase methylation of alpha,omega-diphenylalkanes. JOURNAL OF PHYSICAL CHEMISTRY A, 107(23), 4619-4624. doi:10.1021/jp0271920
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380585
Zuberi, B., Bertram, A. K., Koop, T., Molina, L. T., & Molina, M. J. (2001). Heterogeneous freezing of aqueous particles induced by crystallized (NH4)(2)SO4, ice, and letovicite. JOURNAL OF PHYSICAL CHEMISTRY A, 105(26), 6458-6464. doi:10.1021/jp010094e
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1615713
Schoeller, W., Begemann, C., Niecke, E., & Gudat, D. (2001). Electronic structure of the 2.4-diphosphacyclobutane-diyl-1.3 and substituted derivatives. JOURNAL OF PHYSICAL CHEMISTRY A, 105(47), 10731-10738. doi:10.1021/jp0117009
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897153
Huarte-Larranaga, F., & Manthe, U. (2001). Quantum dynamics of the CH4+H -> CH3+H2 reaction: Full-dimensional and reduced dimensionality rate constant calculations. JOURNAL OF PHYSICAL CHEMISTRY A, 105(12), 2522-2529. doi:10.1021/jp003579w
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380242
Bertram, A. K., Koop, T., Molina, L. T., & Molina, M. J. (2000). Ice formation in (NH4)(2)SO4-H2O particles. JOURNAL OF PHYSICAL CHEMISTRY A, 104(3), 584-588. doi:10.1021/jp9931197
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619211
Guo, X., & Grützmacher, H. - F. (2000). Reactivity and structure of hydrogenated carbon cluster ions CnHx+ (n = 18, 20, 24; x = 4-12) derived from polycyclic aromatic hydrocarbons by splitting off H center dot atoms: Reactions with dimethyl disulfide. JOURNAL OF PHYSICAL CHEMISTRY A, 104(33), 7811-7820. doi:10.1021/jp0008288
PUB | DOI | WoS
 
1999 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380271
Chang, H. Y. A., Koop, T., Molina, L. T., & Molina, M. J. (1999). Phase transitions in emulsified HNO3/H2O and HNO3/H2SO4/H2O solutions. JOURNAL OF PHYSICAL CHEMISTRY A, 103(15), 2673-2679. doi:10.1021/jp9841034
PUB | DOI | WoS
 
1999 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380358
Koop, T., Bertram, A. K., Molina, L. T., & Molina, M. J. (1999). Phase transitions in aqueous NH4HSO4 solutions. JOURNAL OF PHYSICAL CHEMISTRY A, 103(45), 9042-9048. doi:10.1021/jp992033a
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380407
Koop, T., Ng, H. P., Molina, L. T., & Molina, M. J. (1998). A new optical technique to study aerosol phase transitions: The nucleation of ice from H2SO4 aerosols. JOURNAL OF PHYSICAL CHEMISTRY A, 102(45), 8924-8931. doi:10.1021/jp9828078
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2402462
Guldi, D. M., Torres-Garcia, G., & Mattay, J. (1998). Intramolecular energy transfer in fullerene pyrazine dyads. The Journal of Physical Chemistry A, 102(48), 9679-9685. doi:10.1021/jp9818885
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626083
Sun, J., Caltapanides, S., & Grützmacher, H. - F. (1998). Isomeric C-24(center dot+) carbon cluster ions derived from perchlorocoronene. Reactions of carbon-cluster ions with pyridine. JOURNAL OF PHYSICAL CHEMISTRY A, 102(14), 2408-2414. doi:10.1021/jp972577h
PUB | DOI | WoS
 
1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380392
Koop, T., Luo, B. P., Biermann, U. M., Crutzen, P. J., & Peter, T. (1997). Freezing of HNO3/H2SO4/H2O solutions at stratospheric temperatures: Nucleation statistics and experiments. JOURNAL OF PHYSICAL CHEMISTRY A, 101(6), 1117-1133. doi:10.1021/jp9626531
PUB | DOI | WoS
 

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