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53 Publications

2018 | Journal Article | 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
 
2017 | Journal Article | PUB-ID: 2910344
Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates
Bandeira NAG, Sadeghi O, Woods TJ, Zhang Y-Z, Schnack J, Dunbar K, Nyman M, Bo C (2017)
Journal of Physical Chemistry A 121(6): 1310-1318.
PUB | DOI | WoS | PubMed | Europe PMC
 
2016 | Journal Article | PUB-ID: 2917134
Quasi -Bound States of the F center dot CH4 Complex
Schaepers D, Manthe U (2016)
JOURNAL OF PHYSICAL CHEMISTRY A 120(19): 3186-3195.
PUB | DOI | WoS | PubMed | Europe PMC
 
2016 | Journal Article | PUB-ID: 2906718
Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates during Low-Temperature Oxidation of Dimethyl Ether
Moshammer K, Jasper AW, Popolan-Vaida DM, Wang Z, Shankar VSB, Ruwe L, Taatjes CA, Dagaut P, Hansen N (2016)
JOURNAL OF PHYSICAL CHEMISTRY A 120(40): 7890-7901.
PUB | DOI | WoS
 
2016 | Journal Article | PUB-ID: 2905148
Carbonyl Diisocyanate CO(NCO)(2): Synthesis and Structures in Solid State and Gas Phase
Klapoetke TM, Krumm B, Rest S, Scharf R, Schwabedissen J, Stammler H-G, Mitzel NW (2016)
JOURNAL OF PHYSICAL CHEMISTRY A 120(26): 4534-4541.
PUB | DOI | WoS | PubMed | Europe PMC
 
2016 | Journal Article | PUB-ID: 2904104
Structural Analysis of Perfluoropropanoyl Fluoride in the Gas, Liquid, and Solid Phases
Berrueta Martinez Y, Reuter C, Vishnevskiy Y, Bava YB, Lorena Picone A, Romano RM, Stammler H-G, Neumann B, Mitzel NW, Della Vedova CO (2016)
JOURNAL OF PHYSICAL CHEMISTRY A 120(15): 2420-2430.
PUB | DOI | WoS
 
2015 | Journal Article | PUB-ID: 2759868
Glass Formation Processes in Mixed Inorganic/Organic Aerosol Particles
Dette HP, Koop T (2015)
The Journal of Physical Chemistry A 119(19): 4552-4561.
PUB | DOI | WoS | PubMed | Europe PMC
 
2015 | Journal Article | PUB-ID: 2901325
Conformational and bonding properties of 3,3-dimethyl- and 6,6-dimethyl-1,5-diazabicyclo[3.1.0]hexane: a case study employing the monte carlo method in gas electron diffraction
Vishnevskiy Y, Schwabedissen J, Rykov AN, Kuznetsov VV, Makhova NN (2015)
Journal Of Physical Chemistry A 119(44): 10871-10881.
PUB | DOI | WoS | PubMed | Europe PMC
 
2015 | Journal Article | PUB-ID: 2901249
A Quasiclassical Study of the F(P-2) + CHD3 (nu(1)=0,1) Reactive System on an Accurate Potential Energy Surface
Palma J, Manthe U (2015)
Journal of Physical Chemistry A 119(50): 12209-12217.
PUB | DOI | WoS | PubMed | Europe PMC
 
2015 | Journal Article | PUB-ID: 2773113
Detection and Identification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether
Moshammer K, Jasper AW, Popolan-Vaida DM, Lucassen A, Dievarti P, Selim H, Eskola AJ, Taatjes CA, Leone SR, Sarathy SM, Ju Y, et al. (2015)
The Journal of Physical Chemistry A 119(28): 7361-7374.
PUB | DOI | WoS | PubMed | Europe PMC
 
2015 | Journal Article | PUB-ID: 2731059
Conformational Properties of Ethyl- and 2,2,2-Trifluoroethyl Thionitrites, (CX3CH2SNO, X = H and F)
Canneva A, Della Vedova CO, Mitzel NW, Erben MF (2015)
The Journal of Physical Chemistry A 119(9): 1524-1533.
PUB | DOI | WoS | PubMed | Europe PMC
 
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
 

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