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43 Publikationen

2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904
R. Ellerbrock, U. Manthe, and J. Palma, “A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4.”, Journal of physical chemistry A, 2019, 123, 7237-7245.
PUB | DOI | WoS | PubMed | Europe PMC
 
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2916936
L. Schröder, S. Oldemeyer, and T. Kottke, “Time-Resolved Infrared Spectroscopy on Plant Cryptochrome—Relevance of Proton Transfer and ATP Binding for Signaling”, The Journal of Physical Chemistry A, 2018, 122, 140-147.
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2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697372
H. P. Dette, M. Qi, D. C. Schröder, A. Godt, and T. Koop, “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, 2014, 118, 7024-7033.
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2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2671330
A. B. Rozhenko, W. Schoeller, and J. Leszczynski, “On the Stability of Perfluoroalkyl-Substituted Singlet Carbenes: A Coupled-Cluster Quantum Chemical Study”, The Journal of Physical Chemistry A, 2014, 118, 1479-1488.
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2636062
R. Wodraszka, and U. Manthe, “Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates”, The Journal Of Physical Chemistry A, 2013, 117, 7246-7255.
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2578580
L. A. Ramos, S. E. Ulic, R. M. Romano, M. F. Erben, Y. Vishnevskiy, C. Reuter, N. W. Mitzel, H. Beckers, H. Willner, X. Zeng, et al., “Spectroscopic Characterization and Constitutional and Rotational Isomerism of ClC(O)SCN and ClC(O)NCS”, The Journal Of Physical Chemistry A, 2013, 117, 2383-2399.
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2622262
L. A. Ramos, S. E. Ulic, R. M. Romano, Y. Vishnevskiy, N. W. Mitzel, H. Beckers, H. Willner, S. Tong, M. Ge, and C. O. Della Vedova, “Chlorodifluoroacetyl Isothiocyanate, ClF2CC(O)NCS: Preparation and Structural and Spectroscopic Studies”, The Journal Of Physical Chemistry A, 2013, 117, 5597-5606.
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2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2636066
N. Wittenbrink, H. Ndome, and W. Eisfeld, “Toward Spin-Orbit Coupled Diabatic Potential Energy Surfaces for Methyl Iodide Using Effective Relativistic Coupling by Asymptotic Representation”, The Journal Of Physical Chemistry A, 2013, 117, 7408-7420.
PUB | DOI | WoS | PubMed | Europe PMC
 
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2548438
L. A. Ramos, S. E. Ulic, R. M. Romano, Y. Vishnevskiy, R. Berger, N. W. Mitzel, H. Beckers, H. Winner, S. Tong, M. Ge, et al., “Chlorodifluoroacetyl Isocyanate, ClF2CC(O)NCO: Preparation and Structural and Spectroscopic Studies”, The Journal Of Physical Chemistry A, 2012, 116, 11586-11595.
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2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2548457
R. Wodraszka, J. Palma, and U. Manthe, “Vibrational Dynamics of the CH4 center dot F(-)Complex”, The Journal Of Physical Chemistry A, 2012, 116, 11249-11259.
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2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2289487
C. R. Evenhuis, and U. Manthe, “Photodissociation of CH3I: A Full-Dimensional (9D) Quantum Dynamics Study”, The Journal of Physical Chemistry A, 2011, 115, 5992-6001.
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2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003413
M. Oelgemoeller, J. Mattay, and H. Goerner, “Direct Photooxidation and Xanthene-Sensitized Oxidation of Naphthols: Quantum Yields and Mechanism”, The Journal of Physical Chemistry A, 2011, 115, 280-285.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896981
G. Schiffel, U. Manthe, and G. Nyman, “Full-Dimensional Quantum Reaction Rate Calculations for H+CH4 -> H2+CH3 on a Recent Potential Energy Surface”, JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114, 9617-9622.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796250
M. Köhler, A. Brockhinke, M. Braun-Unkhoff, and K. Kohse-Höinghaus, “Quantitative Laser Diagnostic and Modeling Study of C2 and CH Chemistry in Combustion”, JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114, 4719-4734.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796584
N. - N. Liu, and H. - J. Loesch, “Kinematic Slowing and Electrostatic Guiding of KBr Molecules Formed by the Reactive Collision Process: K + HBr -> KBr + H”, JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114, 3247-3255.
PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1591575
J. S. Francisco, and W. Eisfeld, “Atmospheric Oxidation Mechanism of Hydroxymethyl Hydroperoxide”, JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113, 7593-7600.
PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1589018
B. Botta, C. Fraschetti, I. D'Acquarica, M. Speranza, F. R. Novara, J. Mattay, and M. Letzel, “Gas-Phase Enantioselectivity of Chiral N-Linked Peptidoresorc[4]arene Isomers toward Dipeptides”, Journal of Physical Chemistry A, 2009, 113, 14625-14629.
PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896999
S. Andersson, G. Nyman, A. Arnaldsson, U. Manthe, and H. Jonsson, “Comparison of Quantum Dynamics and Quantum Transition State Theory Estimates of the H+CH4 Reaction Rate”, Journal of Physical Chemistry A, 2009, 113, 4468-4478.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588263
B. Zobrist, C. Marcolli, T. Peter, and T. Koop, “Heterogeneous ice nucleation in aqueous solutions: the role of water activity”, JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112, 3965-3975.
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1586126
J. Wang, U. Struckmeier, B. Yang, T. A. Cool, P. Oßwald, K. Kohse-Höinghaus, T. Kasper, N. Hansen, and P. R. Westmoreland, “Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame”, JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112, 9255-9265.
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2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897019
G. Nyman, R. van Harrevelt, and U. Manthe, “Thermochemistry and accurate quantum reaction rate calculations for H-2/HD/D-2 + CH3”, JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111, 10331-10337.
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2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1594368
N. Hansen, T. Kasper, S. J. Klippenstein, P. R. Westmoreland, M. E. Law, C. A. Taatjes, K. Kohse-Höinghaus, J. Wang, and T. A. Cool, “Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame”, JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111, 4081-4092.
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2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1594379
P. Oßwald, U. Struckmeier, T. Kasper, K. Kohse-Höinghaus, J. Wang, T. A. Cool, N. Hansen, and P. R. Westmoreland, “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, 2007, 111, 4093-4101.
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2338999
S. Neumann, W. Eisfeld, A. L. Sobolewski, and W. Domcke, “Resonance Raman spectrum of the solvated electron in methanol: Simulation within a cluster model”, JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110, 5613-5619.
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2339005
W. Eisfeld, “Calculation of the vibrationally resolved electronic absorption spectrum of the propargyl radical (H2CCCH)”, JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110, 3903-3910.
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2338986
A. Teslja, P. J. Dagdigian, M. Banck, and W. Eisfeld, “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, 2006, 110, 7826-7834.
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1599719
N. Hansen, S. J. Klippenstein, J. A. Miller, J. Wang, T. A. Cool, M. E. Law, P. R. Westmoreland, T. Kasper, and K. Kohse-Höinghaus, “Identification of C5Hx isomers in fuel-rich flames by photoionization mass spectrometry and electronic structure calculations”, JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110, 4376-4388.
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1873084
A. Brockhinke, M. Letzgus, S. Rinne, and K. Kohse-Höinghaus, “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, 2006, 110, 3028-3035.
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1600102
C. A. Taatjes, N. Hansen, J. A. Miller, T. A. Cool, J. Wang, P. R. Westmoreland, M. E. Law, T. Kasper, and K. Kohse-Höinghaus, “Combustion chemistry of enols: Possible ethenol precursors in flames”, JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110, 3254-3260.
PUB | DOI | WoS | PubMed | Europe PMC
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380339
D. A. Knopf, B. P. Luo, U. K. Krieger, and T. Koop, “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, 2005, 109, 2707-2709.
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2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1607825
B. P. Bowen, A. Scruggs, J. Enderlein, M. Sauer, and N. Woodbury, “Implementation of neural networks for the identification of single molecules”, JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108, 4799-4804.
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2003 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1611270
B. Chiavarino, M. E. Crestoni, S. Fornarini, and D. Kuck, “Cation-pi interactions in the gas phase methylation of alpha,omega-diphenylalkanes”, JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107, 4619-4624.
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2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380585
B. Zuberi, A. K. Bertram, T. Koop, L. T. Molina, and M. J. Molina, “Heterogeneous freezing of aqueous particles induced by crystallized (NH4)(2)SO4, ice, and letovicite”, JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105, 6458-6464.
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1615713
W. Schoeller, C. Begemann, E. Niecke, and D. Gudat, “Electronic structure of the 2.4-diphosphacyclobutane-diyl-1.3 and substituted derivatives”, JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105, 10731-10738.
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897153
F. Huarte-Larranaga, and U. Manthe, “Quantum dynamics of the CH4+H -> CH3+H2 reaction: Full-dimensional and reduced dimensionality rate constant calculations”, JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105, 2522-2529.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380242
A. K. Bertram, T. Koop, L. T. Molina, and M. J. Molina, “Ice formation in (NH4)(2)SO4-H2O particles”, JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104, 584-588.
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2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619211
X. Guo, and H. - F. Grützmacher, “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, 2000, 104, 7811-7820.
PUB | DOI | WoS
 
1999 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380271
H. Y. A. Chang, T. Koop, L. T. Molina, and M. J. Molina, “Phase transitions in emulsified HNO3/H2O and HNO3/H2SO4/H2O solutions”, JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103, 2673-2679.
PUB | DOI | WoS
 
1999 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380358
T. Koop, A. K. Bertram, L. T. Molina, and M. J. Molina, “Phase transitions in aqueous NH4HSO4 solutions”, JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103, 9042-9048.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380407
T. Koop, H. P. Ng, L. T. Molina, and M. J. Molina, “A new optical technique to study aerosol phase transitions: The nucleation of ice from H2SO4 aerosols”, JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102, 8924-8931.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2402462
D. M. Guldi, G. Torres-Garcia, and J. Mattay, “Intramolecular energy transfer in fullerene pyrazine dyads”, The Journal of Physical Chemistry A, 1998, 102, 9679-9685.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626083
J. Sun, S. Caltapanides, and H. - F. Grützmacher, “Isomeric C-24(center dot+) carbon cluster ions derived from perchlorocoronene. Reactions of carbon-cluster ions with pyridine”, JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102, 2408-2414.
PUB | DOI | WoS
 
1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380392
T. Koop, B. P. Luo, U. M. Biermann, P. J. Crutzen, and T. Peter, “Freezing of HNO3/H2SO4/H2O solutions at stratospheric temperatures: Nucleation statistics and experiments”, JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101, 1117-1133.
PUB | DOI | WoS
 

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