Publications

2.

Journal Article

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)

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3.

Journal Article

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), pp. 1697 - 1701 (2023)

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4.

Journal Article

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), pp. 144 - 160 (2022)

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5.

Journal Article

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), pp. 1235 - 1239 (2020)

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6.

Journal Article

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), pp. 23893 - 23899 (2019)

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7.

Journal Article

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), pp. 1828 - 1834 (2019)

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8.

Journal Article

Troe, J.: Simplified analysis and representation of multi-channel thermal unimolecular reactions. Journal of Physical Chemistry A 123 (5), pp. 1007 - 1014 (2019)

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9.

Journal Article

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, pp. 9785 - 9792 (2019)

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10.

Journal Article

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, pp. 26 - 33 (2019)

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11.

Journal Article

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), pp. 6985 - 6996 (2018)

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12.

Journal Article

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)

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13.

Journal Article

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), pp. 311 - 328 (2018)

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14.

Journal Article

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), pp. 2627 - 2636 (2018)

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15.

Journal Article

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), pp. 7813 - 7819 (2017)

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16.

Journal Article

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), pp. 7827 - 7834 (2017)

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17.

Journal Article

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), pp. 7820 - 7826 (2017)

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18.

Journal Article

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), pp. 4058 - 4068 (2017)

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19.

Journal Article

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), pp. 1223 - 1232 (2017)

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20.

Journal Article

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), pp. 3151 - 3158 (2017)

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21.

Journal Article

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), pp. 3159 - 3164 (2017)

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22.

Journal Article

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), pp. 432 - 436 (2017)

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23.

Journal Article

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), pp. 31064 - 31071 (2016)

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24.

Journal Article

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)

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25.

Journal Article

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), pp. 5264 - 5273 (2016)

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26.

Journal Article

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), pp. 17592 - 17596 (2016)

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27.

Journal Article

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), pp. 11820 - 11836 (2015)

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28.

Journal Article

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), pp. 1561 - 1574 (2015)

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29.

Journal Article

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), pp. 1799 - 1814 (2015)

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30.

Journal Article

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), pp. 19700 - 19708 (2015)

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31.

Journal Article

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), pp. 7263 - 7269 (2015)

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32.

Journal Article

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), pp. 7277 - 7281 (2015)

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33.

Journal Article

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)

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34.

Journal Article

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), pp. 5136 - 5144 (2015)

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35.

Journal Article

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), pp. 151 - 158 (2015)

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36.

Journal Article

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), pp. 19707 - 19717 (2015)

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37.

Journal Article

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), pp. 32219 - 32224 (2015)

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38.

Journal Article

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), pp. 7263 - 7269 (2015)

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39.

Journal Article

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), pp. 7277 - 7281 (2015)

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40.

Journal Article

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), pp. 6789 - 6797 (2014)

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41.

Journal Article

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)

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42.

Journal Article

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), pp. 4873 - 4879 (2014)

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43.

Journal Article

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), pp. 9797 - 9807 (2014)

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44.

Journal Article

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), pp. 2029 - 2039 (2014)

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45.

Journal Article

Guzzi, R.; Bartucci, R.; Marsh, D.: Heterogeneity of protein substates visualized by spin-label EPR. Biophysical Journal 106 (3), pp. 716 - 722 (2014)

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46.

Journal Article

Troe, J.; Ushakov, V. G.: Representation of "broad" falloff curves for dissociation and recombination reactions. Zeitschrift für physikalische Chemie 228 (1), pp. 1 - 10 (2014)

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47.

Journal Article

Marsh, D.: Intermediate dipolar distances from spin labels. Journal of Magnetic Resonance 238, pp. 77 - 81 (2014)

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48.

Journal Article

Troe, J.: From quantum chemistry to dissociation kinetics: what we need to know. Molecular Physics 112 (18), pp. 2374 - 2383 (2014)

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49.

Journal Article

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), pp. 11420 - 11429 (2013)

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50.

Journal Article

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), pp. 9108 - 9110 (2013)

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