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43 Publikationen

2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904
A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4.
Ellerbrock R, Manthe U, Palma J (2019)
Journal of physical chemistry A 123(33): 7237-7245.
PUB | DOI | WoS | PubMed | Europe PMC
 
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2916936
Time-Resolved Infrared Spectroscopy on Plant Cryptochrome—Relevance of Proton Transfer and ATP Binding for Signaling
Schröder L, Oldemeyer S, Kottke T (2018)
The Journal of Physical Chemistry A 122(1): 140-147.
PUB | DOI | WoS | PubMed | Europe PMC
 
2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697372
Glass-Forming Properties of 3-Methylbutane-1,2,3-tricarboxylic Acid and Its Mixtures with Water and Pinonic Acid
Dette HP, Qi M, Schröder DC, Godt A, Koop T (2014)
The Journal of Physical Chemistry A 118(34): 7024-7033.
PUB | DOI | WoS | PubMed | Europe PMC
 
2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2671330
On the Stability of Perfluoroalkyl-Substituted Singlet Carbenes: A Coupled-Cluster Quantum Chemical Study
Rozhenko AB, Schoeller W, Leszczynski J (2014)
The Journal of Physical Chemistry A 118(8): 1479-1488.
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2636062
Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates
Wodraszka R, Manthe U (2013)
The Journal Of Physical Chemistry A 117(32): 7246-7255.
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2578580
Spectroscopic Characterization and Constitutional and Rotational Isomerism of ClC(O)SCN and ClC(O)NCS
Ramos LA, Ulic SE, Romano RM, Erben MF, Vishnevskiy Y, Reuter C, Mitzel NW, Beckers H, Willner H, Zeng X, Bernhardt E, et al. (2013)
The Journal Of Physical Chemistry A 117(11): 2383-2399.
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2622262
Chlorodifluoroacetyl Isothiocyanate, ClF2CC(O)NCS: Preparation and Structural and Spectroscopic Studies
Ramos LA, Ulic SE, Romano RM, Vishnevskiy Y, Mitzel NW, Beckers H, Willner H, Tong S, Ge M, Della Vedova CO (2013)
The Journal Of Physical Chemistry A 117(27): 5597-5606.
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2636066
Toward Spin-Orbit Coupled Diabatic Potential Energy Surfaces for Methyl Iodide Using Effective Relativistic Coupling by Asymptotic Representation
Wittenbrink N, Ndome H, Eisfeld W (2013)
The Journal Of Physical Chemistry A 117(32): 7408-7420.
PUB | DOI | WoS | PubMed | Europe PMC
 
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2548438
Chlorodifluoroacetyl Isocyanate, ClF2CC(O)NCO: Preparation and Structural and Spectroscopic Studies
Ramos LA, Ulic SE, Romano RM, Vishnevskiy Y, Berger R, Mitzel NW, Beckers H, Winner H, Tong S, Ge M, Della Vedova CO (2012)
The Journal Of Physical Chemistry A 116(47): 11586-11595.
PUB | DOI | WoS | PubMed | Europe PMC
 
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2548457
Vibrational Dynamics of the CH4 center dot F(-)Complex
Wodraszka R, Palma J, Manthe U (2012)
The Journal Of Physical Chemistry A 116(46): 11249-11259.
PUB | DOI | WoS | PubMed | Europe PMC
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2289487
Photodissociation of CH3I: A Full-Dimensional (9D) Quantum Dynamics Study
Evenhuis CR, Manthe U (2011)
The Journal of Physical Chemistry A 115(23): 5992-6001.
PUB | DOI | WoS | PubMed | Europe PMC
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003413
Direct Photooxidation and Xanthene-Sensitized Oxidation of Naphthols: Quantum Yields and Mechanism
Oelgemoeller M, Mattay J, Goerner H (2011)
The Journal of Physical Chemistry A 115(3): 280-285.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896981
Full-Dimensional Quantum Reaction Rate Calculations for H+CH4 -> H2+CH3 on a Recent Potential Energy Surface
Schiffel G, Manthe U, Nyman G (2010)
JOURNAL OF PHYSICAL CHEMISTRY A 114(36): 9617-9622.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796250
Quantitative Laser Diagnostic and Modeling Study of C2 and CH Chemistry in Combustion
Köhler M, Brockhinke A, Braun-Unkhoff M, Kohse-Höinghaus K (2010)
JOURNAL OF PHYSICAL CHEMISTRY A 114(14): 4719-4734.
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796584 PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1591575
Atmospheric Oxidation Mechanism of Hydroxymethyl Hydroperoxide
Francisco JS, Eisfeld W (2009)
JOURNAL OF PHYSICAL CHEMISTRY A 113(26): 7593-7600.
PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1589018
Gas-Phase Enantioselectivity of Chiral N-Linked Peptidoresorc[4]arene Isomers toward Dipeptides
Botta B, Fraschetti C, D'Acquarica I, Speranza M, Novara FR, Mattay J, Letzel M (2009)
Journal of Physical Chemistry A 113(52): 14625-14629.
PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896999
Comparison of Quantum Dynamics and Quantum Transition State Theory Estimates of the H+CH4 Reaction Rate
Andersson S, Nyman G, Arnaldsson A, Manthe U, Jonsson H (2009)
Journal of Physical Chemistry A 113(16): 4468-4478.
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588263
Heterogeneous ice nucleation in aqueous solutions: the role of water activity
Zobrist B, Marcolli C, Peter T, Koop T (2008)
JOURNAL OF PHYSICAL CHEMISTRY A 112(17): 3965-3975.
PUB | DOI | WoS | PubMed | Europe PMC
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1586126
Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame
Wang J, Struckmeier U, Yang B, Cool TA, Oßwald P, Kohse-Höinghaus K, Kasper T, Hansen N, Westmoreland PR (2008)
JOURNAL OF PHYSICAL CHEMISTRY A 112(39): 9255-9265.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897019
Thermochemistry and accurate quantum reaction rate calculations for H-2/HD/D-2 + CH3
Nyman G, van Harrevelt R, Manthe U (2007)
JOURNAL OF PHYSICAL CHEMISTRY A 111(41): 10331-10337.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1594368
Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame
Hansen N, Kasper T, Klippenstein SJ, Westmoreland PR, Law ME, Taatjes CA, Kohse-Höinghaus K, Wang J, Cool TA (2007)
JOURNAL OF PHYSICAL CHEMISTRY A 111(19): 4081-4092.
PUB | DOI | WoS | PubMed | Europe PMC
 
2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1594379
Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters
Oßwald P, Struckmeier U, Kasper T, Kohse-Höinghaus K, Wang J, Cool TA, Hansen N, Westmoreland PR (2007)
JOURNAL OF PHYSICAL CHEMISTRY A 111(19): 4093-4101.
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2338999
Resonance Raman spectrum of the solvated electron in methanol: Simulation within a cluster model
Neumann S, Eisfeld W, Sobolewski AL, Domcke W (2006)
JOURNAL OF PHYSICAL CHEMISTRY A 110(17): 5613-5619.
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2339005
Calculation of the vibrationally resolved electronic absorption spectrum of the propargyl radical (H2CCCH)
Eisfeld W (2006)
JOURNAL OF PHYSICAL CHEMISTRY A 110(11): 3903-3910.
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2338986
Experimental and theoretical study of the electronic spectrum of the methylene amidogen radical (H2CN): Verification of the (2)A(1) <- B-2(2) assignment
Teslja A, Dagdigian PJ, Banck M, Eisfeld W (2006)
JOURNAL OF PHYSICAL CHEMISTRY A 110(25): 7826-7834.
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1599719
Identification of C5Hx isomers in fuel-rich flames by photoionization mass spectrometry and electronic structure calculations
Hansen N, Klippenstein SJ, Miller JA, Wang J, Cool TA, Law ME, Westmoreland PR, Kasper T, Kohse-Höinghaus K (2006)
JOURNAL OF PHYSICAL CHEMISTRY A 110(13): 4376-4388.
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1873084
Energy transfer in the d(3)Pi(g)-a(3)Pi(u) (0-0) swan bands of C2: Implications for quantitative measurements
Brockhinke A, Letzgus M, Rinne S, Kohse-Höinghaus K (2006)
JOURNAL OF PHYSICAL CHEMISTRY A 110(9): 3028-3035.
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1600102
Combustion chemistry of enols: Possible ethenol precursors in flames
Taatjes CA, Hansen N, Miller JA, Cool TA, Wang J, Westmoreland PR, Law ME, Kasper T, Kohse-Höinghaus K (2006)
JOURNAL OF PHYSICAL CHEMISTRY A 110(9): 3254-3260.
PUB | DOI | WoS | PubMed | Europe PMC
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380339 PUB | DOI | WoS
 
2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1607825
Implementation of neural networks for the identification of single molecules
Bowen BP, Scruggs A, Enderlein J, Sauer M, Woodbury N (2004)
JOURNAL OF PHYSICAL CHEMISTRY A 108(21): 4799-4804.
PUB | DOI | WoS
 
2003 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1611270
Cation-pi interactions in the gas phase methylation of alpha,omega-diphenylalkanes
Chiavarino B, Crestoni ME, Fornarini S, Kuck D (2003)
JOURNAL OF PHYSICAL CHEMISTRY A 107(23): 4619-4624.
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380585
Heterogeneous freezing of aqueous particles induced by crystallized (NH4)(2)SO4, ice, and letovicite
Zuberi B, Bertram AK, Koop T, Molina LT, Molina MJ (2001)
JOURNAL OF PHYSICAL CHEMISTRY A 105(26): 6458-6464.
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1615713
Electronic structure of the 2.4-diphosphacyclobutane-diyl-1.3 and substituted derivatives
Schoeller W, Begemann C, Niecke E, Gudat D (2001)
JOURNAL OF PHYSICAL CHEMISTRY A 105(47): 10731-10738.
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897153
Quantum dynamics of the CH4+H -> CH3+H2 reaction: Full-dimensional and reduced dimensionality rate constant calculations
Huarte-Larranaga F, Manthe U (2001)
JOURNAL OF PHYSICAL CHEMISTRY A 105(12): 2522-2529.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380242
Ice formation in (NH4)(2)SO4-H2O particles
Bertram AK, Koop T, Molina LT, Molina MJ (2000)
JOURNAL OF PHYSICAL CHEMISTRY A 104(3): 584-588.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619211 PUB | DOI | WoS
 
1999 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380271
Phase transitions in emulsified HNO3/H2O and HNO3/H2SO4/H2O solutions
Chang HYA, Koop T, Molina LT, Molina MJ (1999)
JOURNAL OF PHYSICAL CHEMISTRY A 103(15): 2673-2679.
PUB | DOI | WoS
 
1999 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380358
Phase transitions in aqueous NH4HSO4 solutions
Koop T, Bertram AK, Molina LT, Molina MJ (1999)
JOURNAL OF PHYSICAL CHEMISTRY A 103(45): 9042-9048.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380407
A new optical technique to study aerosol phase transitions: The nucleation of ice from H2SO4 aerosols
Koop T, Ng HP, Molina LT, Molina MJ (1998)
JOURNAL OF PHYSICAL CHEMISTRY A 102(45): 8924-8931.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2402462
Intramolecular energy transfer in fullerene pyrazine dyads
Guldi DM, Torres-Garcia G, Mattay J (1998)
The Journal of Physical Chemistry A 102(48): 9679-9685.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626083
Isomeric C-24(center dot+) carbon cluster ions derived from perchlorocoronene. Reactions of carbon-cluster ions with pyridine
Sun J, Caltapanides S, Grützmacher H-F (1998)
JOURNAL OF PHYSICAL CHEMISTRY A 102(14): 2408-2414.
PUB | DOI | WoS
 
1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380392
Freezing of HNO3/H2SO4/H2O solutions at stratospheric temperatures: Nucleation statistics and experiments
Koop T, Luo BP, Biermann UM, Crutzen PJ, Peter T (1997)
JOURNAL OF PHYSICAL CHEMISTRY A 101(6): 1117-1133.
PUB | DOI | WoS
 

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