Publikationen

Zeitschriftenartikel (945)

1.
Zeitschriftenartikel
Cobos, C. J.; Glarborg, P.; Marshall, P.; Troe, H. J.: Re-evaluation of rate constants for the reaction N2H4 (+ M) NH2 + NH2 (+ M). Combustion and Flame 257, 112374 (2023)
2.
Zeitschriftenartikel
Cobos, C. J.; Tellbach, E.; Sölter, L.; Troe, J.: Practical Aspects of Thermal Dissociation and Recombination Reactions: the Reaction Systems CF3X(+M)<-> CF3+X (+M) with X=F, Cl, Br, and I. Israel Journal of Chemistry 63 (7-8), e202300006 (2023)
3.
Zeitschriftenartikel
Cobos, C. J.; Tellbach, E.; Sölter, L.; Troe, J.: Influence of Molecular Parameters on Rate Constants of Thermal Dissociation/Recombination Reactions: The Reaction System CF4 ⇄ CF3 + F. The Journal of Physical Chemistry A 127 (7), S. 1697 - 1701 (2023)
4.
Zeitschriftenartikel
Maergoiz, A.; Nikitin, E. E.; Troe, J.: Statistical theory for the reaction N + OH → NO + H: thermal low-temperature rate constants. Faraday Discussions 238 (0), S. 144 - 160 (2022)
5.
Zeitschriftenartikel
Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E.; Troe, J.: Falloff curves of the reaction CF3 (+M) → CF2 + F (+M). The Journal of Physical Chemistry A 124 (7), S. 1235 - 1239 (2020)
6.
Zeitschriftenartikel
Cobos, C. J.; Sölter, E.; Tellbach, E.; Troe, J.: Falloff curves and mechanism of thermal decomposition of CF3I in shock waves. Physical Chemistry Chemical Physics 21 (43), S. 23893 - 23899 (2019)
7.
Zeitschriftenartikel
Marowsky, G.; Troe, J.; Viggiano, A. A.: On the competition between electron autodetachment and dissociation of molecular anions. Journal of The American Society for Mass Spectrometry 30 (10), S. 1828 - 1834 (2019)
8.
Zeitschriftenartikel
Troe, J.: Simplified analysis and representation of multi-channel thermal unimolecular reactions. Journal of Physical Chemistry A 123 (5), S. 1007 - 1014 (2019)
9.
Zeitschriftenartikel
Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thalerb, A.; Troe, J.: Shock wave and modelling study of the dissociation pathways of (C2F5)3N. Physical Chemistry Chemical Physics 21, S. 9785 - 9792 (2019)
10.
Zeitschriftenartikel
Sweeny, B. C.; Pan, H.; Ard, S. G.; Shuman, N. S.; Viggiano, A. A.; Keyes, N.; Xie, C.; Guo, H.; Ushakov, V. G.; Troe, J.: Mechanistic details of the MnO+ + H-2/D-2 reaction through temperature-dependent kinetics and statistical modeling. International Journal of Mass Spectrometry 435, S. 26 - 33 (2019)
11.
Zeitschriftenartikel
Zachariasse, K. A.; Druzhinin, S. I.; Morawski, O.; Kozankiewicz, B.: Fluorescence of 4-(diisopropylamino)benzonitrile (DIABN) single crystals from 300 K down to 5 K. Intramolecular charge transfer disappears below 60 K. The Journal of Physical Chemistry A 122 (35), S. 6985 - 6996 (2018)
12.
Zeitschriftenartikel
Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Troe, H. J.: Electronically nonadiabatic mechanism of the vibrational relaxation of NO in Ar: Rate coefficients from ab initio potentials and asymptotic coupling. The Journal of Chemical Physics 149 (1), 014301 (2018)
13.
Zeitschriftenartikel
Dashevskaya, E. I.; Nikitin, E. E.; Troe, H. J.: Uniform airy approximation for nonadiabatic transitions in a curve-crossing weak-coupling case. Zeitschrift für Physikalische Chemie 232 (3), S. 311 - 328 (2018)
14.
Zeitschriftenartikel
Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E.; Troe, J.: Experimental and modelling study of the multichannel thermal dissociations of CH3F and CH2F. Physical Chemistry Chemical Physics 20 (4), S. 2627 - 2636 (2018)
15.
Zeitschriftenartikel
Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A.; Troe, J.: Shock wave and theoretical modeling study of the dissociation of CH2F2 I. Primary processes. Journal of Physical Chemistry A 121 (41), S. 7813 - 7819 (2017)
16.
Zeitschriftenartikel
Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E.; Troe, J.: Kinetic and spectroscopic studies of the reaction of CF2 with H2 in shock waves. Journal of Physical Chemistry A 121 (41), S. 7827 - 7834 (2017)
17.
Zeitschriftenartikel
Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E.; Troe, J.: Shock wave and theoretical modeling study of the dissociation of CH2F2 II. Secondary reactions. Journal of Physical Chemistry A 121 (41), S. 7820 - 7826 (2017)
18.
Zeitschriftenartikel
Ard, S. G.; Shuman, N. S.; Martinez Jr., O.; Keyes, N. R.; Viggiano, A. A.; Guo, H.; Troe, J.: Temperature and pressure dependences of the reactions of Fe+ with methyl halides CH3X (X = Cl, Br, I): Experiments and kinetic modeling results. Journal of Physical Chemistry A 121 (21), S. 4058 - 4068 (2017)
19.
Zeitschriftenartikel
Zachariasse, K. A.; Demeter, A.; Druzhinin, S. I.: Absence of intramolecular charge transfer with 4-fluoro-N,N-dimethylaniline (DMA4F), contrary to an experimental report supported by computations. Journal of Physical Chemistry A 121 (6), S. 1223 - 1232 (2017)
20.
Zeitschriftenartikel
Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A.; Troe, J.: Shock wave studies of the pyrolysis of fluorocarbon oxygenates. I. The thermal dissociation of C3F6O and CF3COF. Physical Chemistry Chemical Physics 19 (4), S. 3151 - 3158 (2017)
21.
Zeitschriftenartikel
Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A.; Troe, J.: Shock wave studies of the pyrolysis of fluorocarbon oxygenates. II. The thermal dissociation of C4F8O. Physical Chemistry Chemical Physics 19 (4), S. 3159 - 3164 (2017)
22.
Zeitschriftenartikel
Nikitin, E. E.; Troe, J.: On the Bethe-Wigner-Shapiro limit of the rate coefficient for the capture of a rotating quadrupolar polarisable diatom by an ion. Molecular Physics 115 (4), S. 432 - 436 (2017)
23.
Zeitschriftenartikel
Han, H.; Alday, B.; Shuman, N. S.; Wiens, J. P.; Troe, J.; Viggianob, A. A.; Guo, H.: Calculations of the active mode and energetic barrier to electron attachment to CF3 and comparison with kinetic modeling of experimental results. Physical Chemistry Chemical Physics 18 (45), S. 31064 - 31071 (2016)
24.
Zeitschriftenartikel
Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Troe, J.: Relocking of intrinsic angular momenta in collisions of diatoms with ions: Capture of H2(j=0,1) by H2+. Journal of Chemical Physics 145 (24), 244315 (2016)
25.
Zeitschriftenartikel
Ard, S. G.; Johnson, R. S.; Martinez, O.; Shuman, N. S.; Guo, H.; Troe, J.; Viggiano, A.: Analysis of the pressure and temperature dependence of the complex-forming bimolecular reaction CH3OCH3 + Fe+. The Journal of Physical Chemistry A 120 (27), S. 5264 - 5273 (2016)
26.
Zeitschriftenartikel
Knight, G.; Sölter, L.; Tellbach, E.; Troe, J.: Shock wave and modeling study of the reaction CF4 (+ M) <--> CF3 + F (+ M). Physical Chemistry Chemical Physics 18 (26), S. 17592 - 17596 (2016)
27.
Zeitschriftenartikel
Druzhinin, S. I.; Galievsky, V. A.; Demeter, A.; Kovalenko, S. A.; Senyushkina, T.; Dubbaka, S. R.; Knoche, P.; Mayer, P.; Grosse, C.; Stalke, D. et al.; Zachariasse, K. A.: Two-state intramolecular charge transfer (ICT) with 3,5-dimethyl-4(dimethylamino)benzonitrile (MMD) and its meta-isomer mMMD. Ground state amino twist not essential for ICT. Journal of Physical Chemistry A 119 (49), S. 11820 - 11836 (2015)
28.
Zeitschriftenartikel
Dashevskaya, E.I.; Litvin, I.; Nikitin, E. E.: On the relation between population kinetics and state-to-state rate coefficients for vibrational energy transfer. Zeitschrift für Physikalische Chemie 229 (10-12), S. 1561 - 1574 (2015)
29.
Zeitschriftenartikel
Vennekate, H.; Reichardt, C.; Walter, A.; Fuest, H.; Schroeder, J.; Schwarzer, D.: Femtosecond infrared spectroscopy of aroylperoxide photofragmentation – Site selective decarboxylation. Zeitschrift für Physikalische Chemie 229 (10-12), S. 1799 - 1814 (2015)
30.
Zeitschriftenartikel
Ushakov, V. G.; Troe, J.; Johnson, R. S.; Guo, H.; Ard, S. G.; Melko, J. J.; Shuman, N. S.; Viggiano, A. A.: Statistical modeling of the reactions Fe(+) + N2O FeO(+) + N2 and FeO(+) + CO Fe(+) + CO2. Physical Chemistry Chemical Physics 17 (30), S. 19700 - 19708 (2015)
31.
Zeitschriftenartikel
Fernandes, R. X.; Luther, K.; Marowsky, G.; Rissanen, M. P.; Timonen, R.; Troe, J.: Experimental and modeling study of the temperature and pressure dependence of the reaction C2H5 + O-2 (+ M) -> C2H5O2 (+ M). Journal of Physical Chemistry A 119 (28), S. 7263 - 7269 (2015)
32.
Zeitschriftenartikel
Glarborg, P.; Marshall, P.; Troe, J.: Temperature and pressure dependence of the reaction S plus CS ( plus M) -> CS2 (+M). Journal of Physical Chemistry A 119 (28), S. 7277 - 7281 (2015)
33.
Zeitschriftenartikel
Dashevskaya, E.I.; Litvin, I.; Nikitin, E. E.; Troe, J.: Further insight into the tunneling contribution to the vibrational relaxation of NO in Ar. Journal of Chemical Physics 142 (16), 164310 (2015)
34.
Zeitschriftenartikel
Walter, A.; Andresen, M.; Jakobs, S.; Schroeder, J.; Schwarzer, D.: Primary light-induced reaction steps of reversibly photoswitchable fluorescent protein padron0.9 investigated by femtosecond spectroscopy. Journal of Physical Chemistry B 119 (16), S. 5136 - 5144 (2015)
35.
Zeitschriftenartikel
Dashevskaya, E.I.; Nikitin, E. E.; Troe, J.: The vibrational relaxation of NO in Ar: Tunneling in a curve-crossing mechanism. Physical Chemistry Chemical Physics 17 (1), S. 151 - 158 (2015)
36.
Zeitschriftenartikel
Ard, S. G.; Johnson, R. S.; Melko, J. J.; Martinez, O.; Shuman, N. S.; Ushakov, V. G.; Guo, H.; Troe, J.; Viggiano, A. A.: Spin-inversion and spin-selection in the reactions FeO+ + H-2 and Fe+ + N2O. Physical Chemistry Chemical Physics 17 (30), S. 19707 - 19717 (2015)
37.
Zeitschriftenartikel
Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A.; Troe, J.: Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8. Physical Chemistry Chemical Physics 17 (48), S. 32219 - 32224 (2015)
38.
Zeitschriftenartikel
Fernandes, R. X.; Luther, K.; Marowsky, G.; Rissanen, R. P.; Timonen, R.; Troe, J.: Experimental and modeling study of the temperature and pressure dependence of the reaction C2H5 + O2 (+ M) → C2H5O2 (+ M). Journal of Physyical Chemistry A 119 (28), S. 7263 - 7269 (2015)
39.
Zeitschriftenartikel
Glarborg, P.; Marshall, P.; Troe, J.: Temperature and pressure dependence of the reaction S + CS (+M) → CS2 (+M). Journal of Physical Chemistry A 119 (28), S. 7277 - 7281 (2015)
40.
Zeitschriftenartikel
Ard, S. G.; Melko, J. J.; Martinez, O.; Ushakov, V. G.; Li, A.; Johnson, R. S.; Shuman, N. S.; Guo, H.; Troe, J.; Viggiano, A. A.: Further insight into the reaction FeO+ + H2 → Fe+ + H2O: Temperature dependent kinetics, isotope effects, and statistical modeling. The Journal of Physical Chemistry A 118 (34), S. 6789 - 6797 (2014)
41.
Zeitschriftenartikel
Maergoiz, A. I.; Nikitin, E. E.; Troe, J.: Electronic nonadiabatic effects in low temperature radical-radical reactions. I. C( 3P) + OH( 2Pi). The Journal of Chemical Physics 141 (4), 044302 (2014)
42.
Zeitschriftenartikel
Cobos, C. J.; Sölter, L.; Tellbach, E.; Troe, J.: Shock wave study of the thermal dissociations of C3F6 and c-C3F6. II. dissociation of hexafluorocyclopropane and dimerization of CF2. The Journal of Physical Chemistry A 118 (27), S. 4873 - 4879 (2014)
43.
Zeitschriftenartikel
Cobos, C. J.; Sölter, L.; Tellbach, E.; Troe, J.: Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane. Physical Chemistry Chemical Physics 16 (21), S. 9797 - 9807 (2014)
44.
Zeitschriftenartikel
Ard, S. G.; Melko, J. J.; Ushakov, V. G.; Johnson, R.; Fournier, J. A.; Shuman, N. S.; Guo, H.; Troe, J.; Viggiano, A. A.: Activation of methane by FeO+: Determining reaction pathways through temperature-dependent kinetics and statistical modeling. The Journal of Physical Chemistry A 118 (11), S. 2029 - 2039 (2014)
45.
Zeitschriftenartikel
Guzzi, R.; Bartucci, R.; Marsh, D.: Heterogeneity of protein substates visualized by spin-label EPR. Biophysical Journal 106 (3), S. 716 - 722 (2014)
46.
Zeitschriftenartikel
Troe, J.; Ushakov, V. G.: Representation of "broad" falloff curves for dissociation and recombination reactions. Zeitschrift für physikalische Chemie 228 (1), S. 1 - 10 (2014)
47.
Zeitschriftenartikel
Marsh, D.: Intermediate dipolar distances from spin labels. Journal of Magnetic Resonance 238, S. 77 - 81 (2014)
48.
Zeitschriftenartikel
Troe, J.: From quantum chemistry to dissociation kinetics: what we need to know. Molecular Physics 112 (18), S. 2374 - 2383 (2014)
49.
Zeitschriftenartikel
Cobos, C. J.; Croce, A. E.; Luther, K.; Sölter, L.; Tellbach, E.; Troe, J.: Experimental and modeling study of the reaction C2F4 (+ M) CF2 + CF2 (+ M). The Journal of Physical Chemistry A 117 (45), S. 11420 - 11429 (2013)
50.
Zeitschriftenartikel
Melko, J. J.; Ard, S. G.; Founier, J. A.; Shuman, N. S.; Troe, J.; Viggiano, A. A.: Comment on "Role of (NO)(2) dimer in reactions of Fe+ with NO and NO2 studied by ICP-SIFT mass spectrometry. The Journal of Physical Chemistry A 117 (37), S. 9108 - 9110 (2013)
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