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41 Publications

2014 | Journal Article | 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, Schroeder DC, Godt A, Koop T (2014)
The Journal of Physical Chemistry A 118(34): 7024-7033.
PUB | DOI | WoS | PubMed | Europe PMC
 
2014 | Journal Article | 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 | Journal Article | 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 | Journal Article | 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 | Journal Article | 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 | Journal Article | 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 | Journal Article | 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
 
2012 | Journal Article | 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
 
2011 | Journal Article | 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 | Journal Article | 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 | Journal Article | 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 | Journal Article | 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 | Journal Article | PUB-ID: 1796584 PUB | DOI | WoS | PubMed | Europe PMC
 
2009 | Journal Article | 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 | Journal Article | 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
 
2009 | Journal Article | 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
 
2008 | Journal Article | 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
 
2008 | Journal Article | 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
 
2007 | Journal Article | 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 | Journal Article | 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
 

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