The Journal of Chemical Physics

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  • 2009 | Journal Article
    ​ ​Nucleation in A/B/AB blends: Interplay between microphase assembly and macrophase separation​
    Wang, J.; Mueller, M. & Wang, Z.​ (2009) 
    The Journal of Chemical Physics, 130(15) art. 154902​.​ DOI: https://doi.org/10.1063/1.3105340 
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  • 2009 | Journal Article
    ​ ​Dissociative excitation transfer in the reaction of O-2(a(1)Delta(g)) with OH-(H2O)(1,2) clusters​
    Viggiano, A. A.; Midey, A.; Eyet, N.; Bierbaum, V. M. & Troe, J.​ (2009) 
    The Journal of Chemical Physics, 131(9) art. 094303​.​ DOI: https://doi.org/10.1063/1.3212839 
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  • 2009 | Journal Article | 
    ​ ​Probing the stiffness of the simplest double hydrogen bond: The symmetric hydrogen bond modes of jet-cooled formic acid dimer​
    Xue, Z. & Suhm, M. A. ​ (2009) 
    The Journal of Chemical Physics, 131(5) art. 054301​.​ DOI: https://doi.org/10.1063/1.3191728 
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  • 2009 | Journal Article
    ​ ​Bulk viscosity universality and scaling function near the binary liquid consolute point​
    Bhattacharjee, J. K.; Iwanowski, I. & Kaatze, U.​ (2009) 
    The Journal of Chemical Physics, 131(17) art. 174502​.​ DOI: https://doi.org/10.1063/1.3258279 
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  • 2009 | Journal Article
    ​ ​Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: A sequential molecular dynamics/quantum mechanical approach​
    Mata, R. A. ; Costa Cabral, B. J.; Millot, C.; Coutinho, K. & Canuto, S.​ (2009) 
    The Journal of Chemical Physics, 130(1) pp. 014505​.​ DOI: https://doi.org/10.1063/1.3054184 
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  • 2009 | Journal Article
    ​ ​Rotational effects in complex-forming bimolecular substitution reactions: A quantum-mechanical approach​
    Hennig, C. & Schmatz, S.​ (2009) 
    The Journal of Chemical Physics, 131(22) art. 224303​.​ DOI: https://doi.org/10.1063/1.3264684 
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  • 2009 | Journal Article
    ​ ​Mesoscale hydrodynamic simulation of short polyelectrolytes in electric fields​
    Frank, S. & Winkler, R. G.​ (2009) 
    The Journal of Chemical Physics, 131(23) art. 234905​.​ DOI: https://doi.org/10.1063/1.3274681 
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  • 2009 | Review
    ​ ​Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment​
    Mognetti, B. M.; Virnau, P.; Yelash, L.; Paul, W.; Binder, K.; Mueller, M.& MacDowell, L. G.​ (2009)
    The Journal of Chemical Physics, 130​(4).​
    Amer Inst Physics. DOI: https://doi.org/10.1063/1.3050353 
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  • 2009 | Journal Article | 
    ​ ​The stiffness of a fully stretched polyethylene chain: A Raman jet spectroscopy extrapolation​
    Wassermann, T. N.; Thelemann, J.; Zielke, P. & Suhm, M. A. ​ (2009) 
    The Journal of Chemical Physics, 131(16) art. 161108​.​ DOI: https://doi.org/10.1063/1.3256221 
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  • 2009 | Journal Article
    ​ ​Nonequilibrium molecular dynamics simulations of vibrational energy relaxation of HOD in D2O​
    Kandratsenka, A.; Schroeder, J.; Schwarzer, D. & Vikhrenko, V. S.​ (2009) 
    The Journal of Chemical Physics, 130(17) art. 174507​.​ DOI: https://doi.org/10.1063/1.3126781 
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  • 2009 | Journal Article
    ​ ​On the accuracy of thermionic electron emission models. I. Electron detachment from SF6-​
    Troe, J. ; Miller, T. M. & Viggiano, A. A.​ (2009) 
    The Journal of Chemical Physics, 130(24) art. 244303​.​ DOI: https://doi.org/10.1063/1.3149782 
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  • 2009 | Journal Article
    ​ ​Statics and dynamics of colloid-polymer mixtures near their critical point of phase separation: A computer simulation study of a continuous Asakura-Oosawa model​
    Zausch, J.; Virnau, P.; Binder, K.; Horbach, J. & Vink, R. L. C.​ (2009) 
    The Journal of Chemical Physics, 130(6) art. 064906​.​ DOI: https://doi.org/10.1063/1.3071197 
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  • 2009 | Journal Article
    ​ ​Lambda-doublet specificity in the low-temperature capture of NO(X (2)Pi(1/2)) in low rotational states by C+ ions​
    Auzinsh, M.; Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2009) 
    The Journal of Chemical Physics, 130(1) art. 014304​.​ DOI: https://doi.org/10.1063/1.3043365 
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  • 2009 | Journal Article
    ​ ​Theoretically informed coarse grain simulations of polymeric systems​
    Pike, D. Q.; Detcheverry, F. A.; Mueller, M. & de Pablo, J. J.​ (2009) 
    The Journal of Chemical Physics, 131(8) art. 084903​.​ DOI: https://doi.org/10.1063/1.3187936 
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  • 2008 | Journal Article
    ​ ​Matrix isolation IR spectroscopic and ab initio studies of C(3)N(-) and related species​
    Kolos, R.; Gronowski, M. & Botschwina, P.​ (2008) 
    The Journal of Chemical Physics, 128(15) art. 154305​.​ DOI: https://doi.org/10.1063/1.2902289 
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  • 2008 | Journal Article
    ​ ​Nonadiabatic transitions between lambda-doubling states in the capture of a diatomic molecule by an ion​
    Auzinsh, M.; Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2008) 
    The Journal of Chemical Physics, 128(18) art. 184304​.​ DOI: https://doi.org/10.1063/1.2913519 
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  • 2008 | Journal Article
    ​ ​Experimental and theoretical investigation of electron attachment to SF(5)Cl​
    van Doren, J. M.; Miller, T. M.; Viggiano, A. A.; Spanel, P.; Smith, D.; Bopp, J. C. & Troe, J.​ (2008) 
    The Journal of Chemical Physics, 128(9) art. 094309​.​ DOI: https://doi.org/10.1063/1.2831767 
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  • 2008 | Journal Article
    ​ ​Single-chain dynamics in a homogeneous melt and a lamellar microphase: A comparison between Smart Monte Carlo dynamics, slithering-snake dynamics, and slip-link dynamics​
    Mueller, M. & Daoulas, K. C.​ (2008) 
    The Journal of Chemical Physics, 129(16) art. 164906​.​ DOI: https://doi.org/10.1063/1.2997345 
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  • 2008 | Journal Article
    ​ ​Correlation regions within a localized molecular orbital approach​
    Mata, R. A. ; Werner, H.-J. & Schütz, M.​ (2008) 
    The Journal of Chemical Physics, 128(14) art. 144106​.​ DOI: https://doi.org/10.1063/1.2884725 
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  • 2008 | Journal Article
    ​ ​Quantum capture, adiabatic channel, and classical trajectory study of the high pressure rate constant of the reaction H+O(2)-> HO(2) between 0 and 5000 K​
    Troe, J. & Ushakov, V. G.​ (2008) 
    The Journal of Chemical Physics, 128(20) art. 204307​.​ DOI: https://doi.org/10.1063/1.2917201 
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  • 2008 | Journal Article
    ​ ​Relaxation rate and scaling function of the critical system 3-methylpentane-nitroethane-cyclohexane​
    Iwanowski, I.; Mirzaev, S. Z. & Kaatzeb, U.​ (2008) 
    The Journal of Chemical Physics, 129(6) art. 064516​.​ DOI: https://doi.org/10.1063/1.2965521 
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  • 2008 | Journal Article
    ​ ​Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase​
    Mata, R. A. ; Werner, H.-J.; Thiel, S. & Thiel, W.​ (2008) 
    The Journal of Chemical Physics, 128(2) art. 025104​.​ DOI: https://doi.org/10.1063/1.2823055 
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  • 2008 | Journal Article
    ​ ​Calculating the free energy of self-assembled structures by thermodynamic integration​
    Mueller, M. & Daoulas, K. C.​ (2008) 
    The Journal of Chemical Physics, 128(2) art. 024903​.​ DOI: https://doi.org/10.1063/1.2818565 
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  • 2008 | Journal Article
    ​ ​Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide​
    Mognetti, B. M.; Yelash, L.; Virnau, P.; Paul, W.; Binder, K.; Mueller, M. & MacDowell, L. G.​ (2008) 
    The Journal of Chemical Physics, 128(10) art. 104501​.​ DOI: https://doi.org/10.1063/1.2837291 
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  • 2008 | Journal Article
    ​ ​Generating multichain configurations of an inhomogeneous melt from the knowledge of single-chain properties​
    Hoemberg, M. & Mueller, M.​ (2008) 
    The Journal of Chemical Physics, 128(22) art. 224911​.​ DOI: https://doi.org/10.1063/1.2939009 
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  • 2008 | Journal Article
    ​ ​Experimental and theoretical study of the ion-ion mutual neutralization reactions Ar++SFn- (n=6, 5, and 4)​
    Bopp, J. C.; Miller, T. M.; Viggiano, A. A. & Troe, J.​ (2008) 
    The Journal of Chemical Physics, 129(7) art. 074308​.​ DOI: https://doi.org/10.1063/1.2965130 
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  • 2008 | Journal Article
    ​ ​Carbon chains of type C(2n+1)N(-) (n=2-6): A theoretical study of potential interstellar anions​
    Botschwina, P. & Oswald, R. B.​ (2008) 
    The Journal of Chemical Physics, 129(4) art. 044305​.​ DOI: https://doi.org/10.1063/1.2949093 
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  • 2007 | Journal Article
    ​ ​Estimation of absolute solvent and solvation shell entropies via permutation reduction​
    Reinhard, F.   & Grubmüller, H. ​ (2007) 
    The Journal of Chemical Physics, 126(1) art. 014102​.​ DOI: https://doi.org/10.1063/1.2400220 
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  • 2007 | Journal Article
    ​ ​Observation of a transition in the water-nanoparticle formation process at 167 K​
    Bauerecker, S.; Wargenau, A.; Schultze, M.; Kessler, T.; Tuckermann, R. & Reichardt, J.​ (2007) 
    The Journal of Chemical Physics, 126(13) art. 134711​.​ DOI: https://doi.org/10.1063/1.2713099 
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  • 2007 | Journal Article
    ​ ​Hydrogen bonding lights up overtones in pyrazoles​
    Wassermann, T. N.; Rice, C. A.; Suhm, M. A.   & Luckhaus, D.​ (2007) 
    The Journal of Chemical Physics, 127(23) art. 234309​.​ DOI: https://doi.org/10.1063/1.2806181 
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  • 2007 | Journal Article
    ​ ​Low-energy electron attachment to SF(6). III. From thermal detachment to the electron affinity of SF(6)​
    Viggiano, A. A.; Miller, T. M.; Friedman, J. F. & Troe, J.​ (2007) 
    The Journal of Chemical Physics, 127(24) art. 244305​.​ DOI: https://doi.org/10.1063/1.2804764 
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  • 2007 | Journal Article
    ​ ​Interpretation of the vibrational relaxation of H-2 in H-2 within the semiclassical effective mass approach​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2007) 
    The Journal of Chemical Physics, 127(11) art. 114317​.​ DOI: https://doi.org/10.1063/1.2766949 
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  • 2007 | Journal Article
    ​ ​Calculated spectroscopic and electric properties of the alkali metal-ammonia complexes from K-n-NH3 to Fr-n-NH3 (n=0,+1)​
    Lim, I. S.; Botschwina, P.; Oswald, R. B.; Barone, V.; Stoll, H. & Schwerdtfeger, P.​ (2007) 
    The Journal of Chemical Physics, 127(10) art. 104313​.​ DOI: https://doi.org/10.1063/1.2749517 
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  • 2007 | Journal Article
    ​ ​Hydrogen-bonded OH stretching modes of methanol clusters: A combined IR and Raman isotopomer study​
    Larsen, R. W.; Zielke, P. & Suhm, M. A. ​ (2007) 
    The Journal of Chemical Physics, 126(19) art. 194307​.​ DOI: https://doi.org/10.1063/1.2732745 
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  • 2007 | Journal Article
    ​ ​Low-energy electron attachment to SF(6). I. Kinetic modeling of nondissociative attachment​
    Troe, J.; Miller, T. M. & Viggiano, A. A.​ (2007) 
    The Journal of Chemical Physics, 127(24) art. 244303​.​ DOI: https://doi.org/10.1063/1.2804761 
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  • 2007 | Journal Article
    ​ ​Low-energy electron attachment to SF(6). II. Temperature and pressure dependences of dissociative attachment​
    Troe, J.; Miller, T. M. & Viggiano, A. A.​ (2007) 
    The Journal of Chemical Physics, 127(24) art. 244304​.​ DOI: https://doi.org/10.1063/1.2804762 
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  • 2007 | Journal Article
    ​ ​Shielding effects in polymer-polymer reactions. II. Reactions between linear and star-branched chains with up to six arms​
    Froehlich, M. G.; Vana, P. & Zifferer, G.​ (2007) 
    The Journal of Chemical Physics, 127(16) art. 164906​.​ DOI: https://doi.org/10.1063/1.2780167 
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  • 2007 | Journal Article
    ​ ​Infrared spectroscopy of pyrrole-2-carboxaldehyde and its dimer: A planar beta-sheet peptide model?​
    Rice, C. A.; Dauster, I. & Suhm, M. A. ​ (2007) 
    The Journal of Chemical Physics, 126(13) art. 134313​.​ DOI: https://doi.org/10.1063/1.2715584 
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  • 2006 | Journal Article
    ​ ​Cooperative organic hydrogen bonds: The librational modes of cyclic methanol clusters​
    Larsen, R. W. & Suhm, M. A. ​ (2006) 
    The Journal of Chemical Physics, 125(15) art. 154314​.​ DOI: https://doi.org/10.1063/1.2358349 
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  • 2006 | Journal Article
    ​ ​Collective Langevin dynamics of conformational motions in proteins​
    Lange, O. F. & Grubmüller, H. ​ (2006) 
    The Journal of Chemical Physics, 124(21) art. 214903​.​ DOI: https://doi.org/10.1063/1.2199530 
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  • 2006 | Journal Article
    ​ ​Microscopic dynamics of thin hard rods​
    Otto, M.; Aspelmeier, T. & Zippelius, A. ​ (2006) 
    The Journal of Chemical Physics, 124(15) pp. 154907​.​ DOI: https://doi.org/10.1063/1.2186325 
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  • 2006 | Journal Article
    ​ ​Hydrogen network fluctuations of associating liquids: Dielectric relaxation of ethylene glycol oligomers and their mixtures with water​
    Hanke, E.; von Roden, K. & Kaatze, U.​ (2006) 
    The Journal of Chemical Physics, 125(8) art. 084507​.​ DOI: https://doi.org/10.1063/1.2338315 
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  • 2006 | Journal Article
    ​ ​Critical behavior of 2,6-dimethylpyridine-water: Measurements of specific heat, dynamic light scattering, and shear viscosity​
    Mirzaev, S. Z.; Behrends, R.; Heimburg, T.; Haller, J. & Kaatze, U.​ (2006) 
    The Journal of Chemical Physics, 124(14) art. 144517​.​ DOI: https://doi.org/10.1063/1.2188396 
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  • 2006 | Journal Article
    ​ ​Dynamic scaling of the critical binary mixture methanol-hexane​
    Iwanowski, I.; Sattarow, A.; Behrends, R.; Mirzaev, S. Z. & Kaatze, U.​ (2006) 
    The Journal of Chemical Physics, 124(14) art. 144505​.​ DOI: https://doi.org/10.1063/1.2179073 
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  • 2006 | Journal Article
    ​ ​Adsorption of polymers on a brush: Tuning the order of the wetting phase transition​
    MacDowell, L. G. & Mueller, M.​ (2006) 
    The Journal of Chemical Physics, 124(8) art. 084907​.​ DOI: https://doi.org/10.1063/1.2172597 
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  • 2006 | Journal Article
    ​ ​Single chain in mean field simulations: Quasi-instantaneous field approximation and quantitative comparison with Monte Carlo simulations​
    Daoulas, K. C. & Mueller, M.​ (2006) 
    The Journal of Chemical Physics, 125(18) art. 184904​.​ DOI: https://doi.org/10.1063/1.2364506 
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  • 2006 | Journal Article
    ​ ​Glassy correlations and microstructures in randomly cross-linked homopolymer blends​
    Wald, C.; Goldbart, P. M. & Zippelius, A. ​ (2006) 
    The Journal of Chemical Physics, 124(21) art. 214905​.​ DOI: https://doi.org/10.1063/1.2200697 
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  • 2006 | Journal Article
    ​ ​Calculation of smooth potential energy surfaces using local electron correlation methods​
    Mata, R. A.   & Werner, H.-J.​ (2006) 
    The Journal of Chemical Physics, 125(18) art. 184110​.​ DOI: https://doi.org/10.1063/1.2364487 
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  • 2006 | Journal Article
    ​ ​Order-parameter-based Monte Carlo simulation of crystallization​
    Chopra, M.; Mueller, M. & de Pablo, J. J.​ (2006) 
    The Journal of Chemical Physics, 124(13) art. 134102​.​ DOI: https://doi.org/10.1063/1.2178324 
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  • 2006 | Journal Article
    ​ ​Dielectric properties of glycerol/water mixtures at temperatures between 10 and 50 degrees C​
    Behrends, R.; Fuchs, K.; Kaatze, U.; Hayashi, Y. & Feldman, Y.​ (2006) 
    The Journal of Chemical Physics, 124(14) art. 144512​.​ DOI: https://doi.org/10.1063/1.2188391 
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  • 2006 | Journal Article
    ​ ​Ab initio treatment of time-resolved x-ray scattering: Application to the photoisomerization of stilbene​
    Debnarova, A.; Techert, S.   & Schmatz, S.​ (2006) 
    The Journal of Chemical Physics, 125(22) art. 224101​.​ DOI: https://doi.org/10.1063/1.2400231 
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  • 2006 | Review
    ​ ​Critical fluctuations of the micellar triethylene glycol monoheptyl ether-water system​
    Haller, J.; Behrends, R.& Kaatze, U.​ (2006)
    The Journal of Chemical Physics, 124​(12).​
    Amer Inst Physics. DOI: https://doi.org/10.1063/1.2179424 
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  • 2006 | Journal Article
    ​ ​Electron attachment to POCl3: Measurement and theoretical analysis of rate constants and branching ratios as a function of gas pressure and temperature, electron temperature, and electron energy​
    van Doren, J. M.; Friedman, J. F.; Miller, T. M.; Viggiano, A. A.; Denifl, S.; Scheier, P. & Mark, T. D. et al.​ (2006) 
    The Journal of Chemical Physics, 124(12) art. 124322​.​ DOI: https://doi.org/10.1063/1.2176613 
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  • 2005 | Journal Article
    ​ ​The effect of proton disorder on the structure of ice-Ih: A theoretical study​
    Kuo, J. L.; Klein, M. L. & Kuhs, W. F.​ (2005) 
    The Journal of Chemical Physics, 123(13) art. 134505​.​ DOI: https://doi.org/10.1063/1.2036971 
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  • 2005 | Journal Article
    ​ ​Quantum kinetic energy densities: An operational approach​
    Muga, J. G.; Seidel, D. & Hegerfeldt, G. C.​ (2005) 
    The Journal of Chemical Physics, 122(15) art. 154106​.​ DOI: https://doi.org/10.1063/1.1875052 
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  • 2005 | Journal Article
    ​ ​Ion-molecule reactions in He-4 droplets: Flying nano-cryo-reactors​
    Farnik, M. & Toennies, J. P. ​ (2005) 
    The Journal of Chemical Physics, 122(1) art. 014307​.​ DOI: https://doi.org/10.1063/1.1815272 
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  • 2005 | Journal Article
    ​ ​Four-mode quantum calculations of resonance states in complex-forming bimolecular reactions: Cl-+CH3Br​
    Schmatz, S.​ (2005) 
    The Journal of Chemical Physics, 122(23) art. 234306​.​ DOI: https://doi.org/10.1063/1.1924406 
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  • 2005 | Journal Article
    ​ ​Rates of complex formation in collisions of rotationally excited homonuclear diatoms with ions at very low temperatures: Application to hydrogen isotopes and hydrogen-containing ions​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2005) 
    The Journal of Chemical Physics, 122(18) art. 184311​.​ DOI: https://doi.org/10.1063/1.1889425 
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  • 2005 | Journal Article
    ​ ​Four-dimensional quantum study on exothermic complex-forming reactions: Cl-+CH3Br -> ClCH3+Br-​
    Hennig, C. & Schmatz, S.​ (2005) 
    The Journal of Chemical Physics, 122(23) art. 234307​.​ DOI: https://doi.org/10.1063/1.1924407 
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  • 2005 | Journal Article
    ​ ​Experimental and modeling study of the ion-molecule association reaction H3O++H2O(+M)-> H5O2+(+M)​
    Hamon, S.; Speck, T.; Mitchell, J.; Rowe, B. & Troe, J.​ (2005) 
    The Journal of Chemical Physics, 123(5) art. 054303​.​ DOI: https://doi.org/10.1063/1.1935520 
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  • 2005 | Journal Article
    ​ ​Rheology of gelling polymers in the Zimm model​
    Lowe, H.; Mueller, P. & Zippelius, A. ​ (2005) 
    The Journal of Chemical Physics, 122(1) art. 014905​.​ DOI: https://doi.org/10.1063/1.1813433 
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  • 2005 | Journal Article
    ​ ​Gold cluster formation on a fullerene surface​
    Kroger, H.; Reinke, P.; Buttner, M. & Oelhafen, P.​ (2005) 
    The Journal of Chemical Physics, 123(11) art. 114706​.​ DOI: https://doi.org/10.1063/1.2018838 
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  • 2004 | Journal Article
    ​ ​Intermolecular interaction in an open-shell pi-bound cationic complex: IR spectrum and coupled cluster calculations for C2H2+-Ar​
    Dopfer, O.; Olkhov, R. V.; Mladenovic, M. & Botschwina, P.​ (2004) 
    The Journal of Chemical Physics, 121(4) pp. 1744​-1753​.​ DOI: https://doi.org/10.1063/1.1765091 
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  • 2004 | Journal Article
    ​ ​Quantum scattering and adiabatic channel treatment of the low-energy and low-temperature capture of a rotating quadrupolar molecule by an ion​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2004) 
    The Journal of Chemical Physics, 120(21) pp. 9989​-9997​.​ DOI: https://doi.org/10.1063/1.1724822 
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  • 2004 | Journal Article
    ​ ​Resonance spectrum and dissociation dynamics of ozone in the B-3(2) electronically excited state: Experiment and theory​
    Deppe, S. F.; Wachsmuth, U.; Abel, B.; Bittererova, M.; Grebenshchikov, S. Y.; Siebert, R. & Schinke, R.​ (2004) 
    The Journal of Chemical Physics, 121(11) pp. 5191​-5200​.​ DOI: https://doi.org/10.1063/1.1778381 
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  • 2004 | Journal Article
    ​ ​Critical fluctuations near the consolute point of n-pentanol-nitromethane. An ultrasonic spectrometry, dynamic light scattering, and shear viscosity study​
    Iwanowski, I.; Behrends, R. & Kaatze, U.​ (2004) 
    The Journal of Chemical Physics, 120(19) pp. 9192​-9198​.​ DOI: https://doi.org/10.1063/1.1703524 
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  • 2004 | Journal Article
    ​ ​Intramolecular energy transfer between oriented chromophores: High-resolution infrared spectroscopy of HCl trimer​
    Farnik, M. & Nesbitt, D. J.​ (2004) 
    The Journal of Chemical Physics, 121(24) pp. 12386​-12395​.​ DOI: https://doi.org/10.1063/1.1814102 
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  • 2004 | Journal Article
    ​ ​Vibrational delocalization in ammonia aerosol particles​
    Jetzki, M.; Bonnamy, A. & Signorell, R.​ (2004) 
    The Journal of Chemical Physics, 120(24) pp. 11775​-11784​.​ DOI: https://doi.org/10.1063/1.1752889 
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  • 2004 | Journal Article
    ​ ​Kinetics of Ca2+ complexation with some carbohydrates in aqueous solutions​
    Baucke, E.; Behrends, R.; Fuchs, K.; Hagen, R. & Kaatze, U.​ (2004) 
    The Journal of Chemical Physics, 120(17) pp. 8118​-8124​.​ DOI: https://doi.org/10.1063/1.1690243 
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  • 2004 | Journal Article
    ​ ​Conformational kinetics of disaccharides in aqueous solutions​
    Hagen, R. & Kaatze, U.​ (2004) 
    The Journal of Chemical Physics, 120(20) pp. 9656​-9664​.​ DOI: https://doi.org/10.1063/1.1701835 
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  • 2004 | Journal Article
    ​ ​Hybrid diatomics-in-molecules-based quantum mechanical/molecular mechanical approach applied to the modeling of structures and spectra of mixed molecular clusters Ar-n(HCl)(m) and Ar-n(HF)(m)​
    Bochenkova, A. V.; Suhm, M. A. ; Granovsky, A. A. & Nemukhin, A. V.​ (2004) 
    The Journal of Chemical Physics, 120(8) pp. 3732​-3743​.​ DOI: https://doi.org/10.1063/1.1642596 
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  • 2004 | Journal Article
    ​ ​Sound attenuation, shear viscosity, and mutual diffusivity behavior in the nitroethane-cyclohexane critical mixture​
    Behrends, R.; Iwanowski, I.; Kosmowska, M.; Szala, A. & Kaatze, U.​ (2004) 
    The Journal of Chemical Physics, 121(12) pp. 5929​-5934​.​ DOI: https://doi.org/10.1063/1.1781614 
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  • 2004 | Journal Article
    ​ ​State-selected dynamics of the complex-forming bimolecular reaction Cl-+CH3Cl '-> ClCH3+Cl '(-): A four-dimensional quantum scattering study​
    Hennig, C. & Schmatz, S.​ (2004) 
    The Journal of Chemical Physics, 121(1) pp. 220​-236​.​ DOI: https://doi.org/10.1063/1.1756135 
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  • 2003 | Journal Article
    ​ ​Verification of the vibrational exciton approach for CO2 and N2O nanoparticles​
    Signorell, R.​ (2003) 
    The Journal of Chemical Physics, 118(6) pp. 2707​-2715​.​ DOI: https://doi.org/10.1063/1.1531622 
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  • 2003 | Journal Article
    ​ ​The influence of embedded atoms, molecules, and clusters on the lifetimes of electron bubbles in large He-4 droplets​
    Farnik, M. & Toennies, J. P.​ (2003) 
    The Journal of Chemical Physics, 118(9) pp. 4176​-4182​.​ DOI: https://doi.org/10.1063/1.1539851 
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  • 2003 | Journal Article
    ​ ​Critical fluctuations in the domain structure of lipid membranes​
    Halstenberg, S.; Schrader, W.; Das, P.; Bhattacharjee, J. K. & Kaatze, U.​ (2003) 
    The Journal of Chemical Physics, 118(12) pp. 5683​-5691​.​ DOI: https://doi.org/10.1063/1.1555634 
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  • 2003 | Journal Article
    ​ ​Four-mode calculation of resonance states of intermediate complexes in the S(N)2 reaction Cl-+CH3Cl '-> ClCH3+Cl '(-)​
    Schmatz, S. & Hauschildt, J.​ (2003) 
    The Journal of Chemical Physics, 118(10) pp. 4499​-4516​.​ DOI: https://doi.org/10.1063/1.1541626 
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  • 2003 | Journal Article
    ​ ​Tunneling dynamics of the NH chromophore in NHD2 during and after coherent infrared excitation​
    Marquardt, R.; Quack, M.; Thanopulos, I. & Luckhaus, D.​ (2003) 
    The Journal of Chemical Physics, 118(2) pp. 643​-658​.​ DOI: https://doi.org/10.1063/1.1514577 
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  • 2003 | Journal Article
    ​ ​Probing hydrogen bond potential surfaces for out-of-plane geometries: Near-infrared combination band torsional (v(6)) spectroscopy in (HCl)(2)​
    Farnik, M.; Davis, S. & Nesbitt, D. J.​ (2003) 
    The Journal of Chemical Physics, 118(22) pp. 10137​-10148​.​ DOI: https://doi.org/10.1063/1.1571822 
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  • 2003 | Journal Article
    ​ ​Maximum likelihood trajectories from single molecule fluorescence resonance energy transfer experiments​
    Schröder, G. F. & Grubmüller, H. ​ (2003) 
    The Journal of Chemical Physics, 119(18) pp. 9920​-9924​.​ DOI: https://doi.org/10.1063/1.1616511 
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  • 2003 | Journal Article
    ​ ​Millimeter-wave spectroscopy and coupled cluster calculations for a new phosphorus-carbon chain: HC5P​
    Bizzocchi, L.; Degli Esposti, C. & Botschwina, P.​ (2003) 
    The Journal of Chemical Physics, 119(1) pp. 170​-175​.​ DOI: https://doi.org/10.1063/1.1576380 
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  • 2003 | Journal Article
    ​ ​C-60 bonding to graphite and boron nitride surfaces​
    Reinke, P.; Feldermann, H. & Oelhafen, P.​ (2003) 
    The Journal of Chemical Physics, 119(23) pp. 12547​-12552​.​ DOI: https://doi.org/10.1063/1.1625914 
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  • 2003 | Journal Article
    ​ ​Collisional energy transfer probabilities of highly excited molecules from KCSI. III. Azulene: P(E ',E) and moments of energy transfer for energies up to 40 000 cm(-1) via self-calibrating experiments​
    Hold, U.; Lenzer, T.; Luther, K. & Symonds, A. C.​ (2003) 
    The Journal of Chemical Physics, 119(21) pp. 11192​-11211​.​ DOI: https://doi.org/10.1063/1.1622382 
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  • 2003 | Journal Article
    ​ ​Scaling function of the critical binary mixture methanol-cyclohexane​
    Behrends, R.; Kaatze, U. & Schach, M.​ (2003) 
    The Journal of Chemical Physics, 119(15) pp. 7957​-7963​.​ DOI: https://doi.org/10.1063/1.1610448 
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  • 2003 | Journal Article
    ​ ​The Ar-HCCCN van der Waals complex: Microwave spectroscopy and coupled cluster calculations​
    Huckauf, A.; Jager, W.; Botschwina, P. & Oswald, R. B.​ (2003) 
    The Journal of Chemical Physics, 119(15) pp. 7749​-7755​.​ DOI: https://doi.org/10.1063/1.1609978 
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  • 2003 | Journal Article
    ​ ​On intervector angle descriptions and their numerical implementation for solving molecular problems​
    Mladenovic, M.​ (2003) 
    The Journal of Chemical Physics, 119(22) pp. 11513​-11525​.​ DOI: https://doi.org/10.1063/1.1623485 
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  • 2003 | Journal Article
    ​ ​Microwave and ab initio studies of the internal rotation of ethylene in the Ar-ethylene and Ne-ethylene van der Waals complexes​
    Liu, Y. Q. & Jager, W.​ (2003) 
    The Journal of Chemical Physics, 119(16) pp. 8449​-8463​.​ DOI: https://doi.org/10.1063/1.1609974 
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  • 2003 | Journal Article
    ​ ​Complex formation in binary propionic acid-triethylamine mixtures: A dielectric relaxation and titration study​
    Orzechowski, K.; Pajdowska, M.; Fuchs, K. & Kaatze, U.​ (2003) 
    The Journal of Chemical Physics, 119(16) pp. 8558​-8566​.​ DOI: https://doi.org/10.1063/1.1613635 
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  • 2003 | Journal Article
    ​ ​Acidic protons before take-off: A comparative jet Fourier transform infrared study of small HCl- and HBr-solvent complexes​
    Farnik, M.; Weimann, M. & Suhm, M. A. ​ (2003) 
    The Journal of Chemical Physics, 118(22) pp. 10120​-10136​.​ DOI: https://doi.org/10.1063/1.1571525 
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  • 2003 | Journal Article
    ​ ​A global electric dipole function of ammonia and isotopomers in the electronic ground state​
    Marquardt, R.; Quack, M.; Thanopulos, I. & Luckhaus, D.​ (2003) 
    The Journal of Chemical Physics, 119(20) pp. 10724​-10732​.​ DOI: https://doi.org/10.1063/1.1617272 
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  • 2003 | Journal Article
    ​ ​The vibrational spectrum of HONO: Fully coupled 6D direct dynamics​
    Luckhaus, D.​ (2003) 
    The Journal of Chemical Physics, 118(19) pp. 8797​-8806​.​ DOI: https://doi.org/10.1063/1.1567713 
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  • 2003 | Journal Article
    ​ ​Blinking molecules: Determination of photophysical parameters from the intensity correlation function​
    Hegerfeldt, G. C. & Seidel, D.​ (2003) 
    The Journal of Chemical Physics, 118(17) pp. 7741​-7746​.​ DOI: https://doi.org/10.1063/1.1563615 
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  • 2003 | Journal Article
    ​ ​Low-temperature behavior of capture rate constants for inverse power potentials​
    Dashevskaya, E. I.; Maergoiz, A. I.; Troe, J.; Litvin, I. & Nikitin, E. E.​ (2003) 
    The Journal of Chemical Physics, 118(16) pp. 7313​-7320​.​ DOI: https://doi.org/10.1063/1.1562159 
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  • 2003 | Journal Article
    ​ ​Molecular dynamics approach to vibrational energy relaxation: Quantum-classical versus purely classical nonequilibrium simulations​
    Neufeld, A. A.; Schwarzer, D.; Schroeder, J. & Troe, J.​ (2003) 
    The Journal of Chemical Physics, 119(5) pp. 2502​-2512​.​ DOI: https://doi.org/10.1063/1.1587125 
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  • 2003 | Journal Article
    ​ ​A monomers-in-dimers model for carboxylic acid dimers​
    Emmeluth, C.; Suhm, M. A.   & Luckhaus, D.​ (2003) 
    The Journal of Chemical Physics, 118(5) pp. 2242​-2255​.​ DOI: https://doi.org/10.1063/1.1532339 
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  • 2002 | Journal Article
    ​ ​The binary system triethylamine-water near its critical consolute point: An ultrasonic spectrometry, dynamic light scattering, and shear viscosity study​
    Behrends, R.; Telgmann, T. & Kaatze, U.​ (2002) 
    The Journal of Chemical Physics, 117(21) pp. 9828​-9837​.​ DOI: https://doi.org/10.1063/1.1517609 
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  • 2002 | Journal Article
    ​ ​The p-T dependency of the ice II crystal structure and the effect of helium inclusion​
    Lobban, C.; Finney, J. L. & Kuhs, W. F.​ (2002) 
    The Journal of Chemical Physics, 117(8) pp. 3928​-3934​.​ DOI: https://doi.org/10.1063/1.1495837 
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  • 2002 | Journal Article
    ​ ​The competition between hydrogen bonding and chemical change in carbohydrate nanoparticles​
    Jetzki, M. & Signorell, R.​ (2002) 
    The Journal of Chemical Physics, 117(17) pp. 8063​-8073​.​ DOI: https://doi.org/10.1063/1.1510744 
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  • 2002 | Journal Article
    ​ ​Experimental and theoretical study of the ion-molecule association reaction NH4++NH3(+M)-> N2H7+(+M)​
    Hamon, S.; Speck, T.; Mitchell, J.; Rowe, B. R. & Troe, J.​ (2002) 
    The Journal of Chemical Physics, 117(6) pp. 2557​-2567​.​ DOI: https://doi.org/10.1063/1.1491409 
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  • 2002 | Journal Article
    ​ ​Resonances in S(N)2 reactions: Two-mode quantum calculations for Cl-+CH3Br on a coupled-cluster potential energy surface​
    Schmatz, S.; Botschwina, P.; Hauschildt, J. & Schinke, R.​ (2002) 
    The Journal of Chemical Physics, 117(21) pp. 9710​-9718​.​ DOI: https://doi.org/10.1063/1.1516799 
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  • 2002 | Journal Article
    ​ ​Dynamical heterogeneities below the glass transition​
    Vollmayr-Lee, K.; Kob, W.; Binder, K. & Zippelius, A. ​ (2002) 
    The Journal of Chemical Physics, 116(12) pp. 5158​-5166​.​ DOI: https://doi.org/10.1063/1.1453962 
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  • 2002 | Journal Article
    ​ ​Double-resonance overtone photofragment spectroscopy of trans-HONO. II. State- and time-resolved dissociation and OH-product state distributions​
    Reiche, F.; Abel, B.; Beck, R. D. & Rizzo, T. R.​ (2002) 
    The Journal of Chemical Physics, 116(23) pp. 10267​-10276​.​ DOI: https://doi.org/10.1063/1.1471236 
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  • 2002 | Journal Article
    ​ ​Predicting unimolecular chemical reactions: Chemical flooding​
    Müller, E. M.; Meijere, A. de   & Grubmüller, H. ​ (2002) 
    The Journal of Chemical Physics, 116(3) pp. 897​-905​.​ DOI: https://doi.org/10.1063/1.1427722 
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  • 2002 | Journal Article
    ​ ​Hydrophobic hydration and concentration fluctuations in aqueous solutions of urea derivatives. Evidence from dielectric and ultrasonic spectrometry​
    Kaatze, U. & Rupprecht, A.​ (2002) 
    The Journal of Chemical Physics, 117(10) pp. 4936​-4939​.​ DOI: https://doi.org/10.1063/1.1497634 
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  • 2002 | Journal Article
    ​ ​The anionic complex Cl-center dot center dot center dot HCCH: Results of large-scale coupled cluster calculations​
    Botschwina, P. & Oswald, R. B.​ (2002) 
    The Journal of Chemical Physics, 117(10) pp. 4800​-4802​.​ DOI: https://doi.org/10.1063/1.1497643 
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  • 2002 | Journal Article
    ​ ​Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. VI. Properties of transitional modes and specific rate constants k(E,J)​
    Maergoiz, A. I.; Nikitin, E. E.; Troe, J. & Ushakov, V. G.​ (2002) 
    The Journal of Chemical Physics, 117(9) pp. 4201​-4213​.​ DOI: https://doi.org/10.1063/1.1496463 
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  • 2002 | Journal Article
    ​ ​Rovibrational calculations for CH3+-Rg (Rg=He,Ne): The prototype disk-and-ball dimer​
    Dopfer, O. & Luckhaus, D.​ (2002) 
    The Journal of Chemical Physics, 116(3) pp. 1012​-1021​.​ DOI: https://doi.org/10.1063/1.1421614 
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  • 2002 | Journal Article
    ​ ​Dielectric spectra of mono- and disaccharide aqueous solutions​
    Fuchs, K. & Kaatze, U.​ (2002) 
    The Journal of Chemical Physics, 116(16) pp. 7137​-7144​.​ DOI: https://doi.org/10.1063/1.1463426 
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  • 2002 | Journal Article
    ​ ​Relaxation dynamics of deuterated formyl and isoformyl cations​
    Wester, R.; Hechtfischer, U.; Knoll, L.; Lange, M.; Levin, J.; Scheffel, M. & Schwalm, D. et al.​ (2002) 
    The Journal of Chemical Physics, 116(16) pp. 7000​-7011​.​ DOI: https://doi.org/10.1063/1.1461812 
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  • 2002 | Journal Article
    ​ ​Chair-chair conformational flexibility, pseudorotation, and exocyclic group isomerization of monosaccharides in water​
    Polacek, R.; Stenger, J. & Kaatze, U.​ (2002) 
    The Journal of Chemical Physics, 116(7) pp. 2973​-2982​.​ DOI: https://doi.org/10.1063/1.1436123 
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  • 2002 | Journal Article
    ​ ​Ab initio theory and rotational spectra of linear carbon chains SiCnS​
    Botschwina, P.; Sanz, M. E.; McCarthy, M. C. & Thaddeus, P.​ (2002) 
    The Journal of Chemical Physics, 116(24) pp. 10719​-10729​.​ DOI: https://doi.org/10.1063/1.1473807 
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  • 2002 | Journal Article
    ​ ​Surface modification of C-60 by ion irradiation studied with photoelectron spectroscopy​
    Reinke, P. & Oelhafen, P.​ (2002) 
    The Journal of Chemical Physics, 116(22) pp. 9850​-9855​.​ DOI: https://doi.org/10.1063/1.1476320 
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  • 2002 | Journal Article
    ​ ​In situ structural properties of N-2-, O-2-, and air-clathrates by neutron diffraction​
    Chazallon, B. & Kuhs, W. F.​ (2002) 
    The Journal of Chemical Physics, 117(1) pp. 308​-320​.​ DOI: https://doi.org/10.1063/1.1480861 
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  • 2002 | Journal Article
    ​ ​Experimental and theoretical investigation of microsolvation of Na+-ions in the gas phase by high resolution mass spectrometry and global cluster geometry optimization​
    Hartke, B.; Charvat, A.; Reich, M. & Abel, B.​ (2002) 
    The Journal of Chemical Physics, 116(9) pp. 3588​-3600​.​ DOI: https://doi.org/10.1063/1.1436109 
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  • 2001 | Journal Article
    ​ ​Specific rate constants k(E, J) for the dissociation of NO2. II. Linewidths of rotationally selected NO2 near to the dissociation threshold​
    Abel, B.; Lange, N. & Troe, J.​ (2001) 
    The Journal of Chemical Physics, 115(14) pp. 6531​-6537​.​ DOI: https://doi.org/10.1063/1.1398306 
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  • 2001 | Journal Article
    ​ ​Theoretical studies of the HO+O double left right arrow HO2 double left right arrow H+O-2 reaction. II. Classical trajectory calculations on an ab initio potential for temperatures between 300 and 5000 K​
    Troe, J. & Ushakov, V. G.​ (2001) 
    The Journal of Chemical Physics, 115(8) pp. 3621​-3628​.​ DOI: https://doi.org/10.1063/1.1388201 
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  • 2001 | Journal Article
    ​ ​Specific rate constants k(E, J) for the dissociation of NO2. I. Time-resolved study of rotational dependencies​
    Abel, B.; Kirmse, B.; Troe, J. & Schwarzer, D.​ (2001) 
    The Journal of Chemical Physics, 115(14) pp. 6522​-6530​.​ DOI: https://doi.org/10.1063/1.1398305 
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  • 2001 | Journal Article
    ​ ​High-resolution photoelectron spectroscopic study of the first electronic states of Kr-2(+)​
    Signorell, R.; Hollenstein, U. & Merkt, F.​ (2001) 
    The Journal of Chemical Physics, 114(22) pp. 9840​-9851​.​ DOI: https://doi.org/10.1063/1.1370939 
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  • 2001 | Journal Article
    ​ ​Measurement and theoretical simulation of the HCCO- anion photoelectron spectrum​
    Schafer-Bung, B.; Engels, B.; Taylor, T. R.; Neumark, D. M.; Botschwina, P. & Peric, M.​ (2001) 
    The Journal of Chemical Physics, 115(4) pp. 1777​-1788​.​
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  • 2001 | Journal Article
    ​ ​The structure and dynamics of doubly occupied Ar hydrate​
    Itoh, H.; Tse, J. S. & Kawamura, K.​ (2001) 
    The Journal of Chemical Physics, 115(20) pp. 9414​-9420​.​ DOI: https://doi.org/10.1063/1.1414378 
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  • 2001 | Journal Article
    ​ ​Dielectric relaxation of hydrogen bonded liquids: Mixtures of monohydric alcohols with n-alkanes​
    Schwerdtfeger, S.; Kohler, F.; Pottel, R. & Kaatze, U.​ (2001) 
    The Journal of Chemical Physics, 115(9) pp. 4186​-4194​.​ DOI: https://doi.org/10.1063/1.1389293 
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  • 2001 | Journal Article
    ​ ​Symmetry specificity in the unimolecular decay of the Cl-center dot center dot center dot CH3Cl complex: Two-mode quantum calculations on a coupled-cluster [CCSD(T)] potential energy surface​
    Schmatz, S.; Botschwina, P.; Hauschildt, J. & Schinke, R.​ (2001) 
    The Journal of Chemical Physics, 114(12) pp. 5233​-5245​.​ DOI: https://doi.org/10.1063/1.1350902 
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  • 2000 | Journal Article
    ​ ​Rovibrational Hamiltonians for general polyatomic molecules in spherical polar parametrization. III. Global vs local axis system and angular coordinates​
    Mladenovic, M.​ (2000) 
    The Journal of Chemical Physics, 113(23) art. PII [S0021-9606(00)00445-1]​.​
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  • 2000 | Journal Article
    ​ ​Rovibrational Hamiltonians for general polyatomic molecules in spherical polar parametrization. I. Orthogonal representations​
    Mladenovic, M.​ (2000) 
    The Journal of Chemical Physics, 112(3) pp. 1070​-1081​.​
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  • 2000 | Journal Article
    ​ ​Rovibrational Hamiltonians for general polyatomic molecules in spherical polar parametrization. II. Nonorthogonal descriptions of internal molecular geometry​
    Mladenovic, M.​ (2000) 
    The Journal of Chemical Physics, 112(3) pp. 1082​-1095​.​
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  • 2000 | Journal Article
    ​ ​The structure and ordering of ices III and V​
    Lobban, C.; Finney, J. L. & Kuhs, W. F.​ (2000) 
    The Journal of Chemical Physics, 112(16) pp. 7169​-7180​.​ DOI: https://doi.org/10.1063/1.481282 
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  • 2000 | Journal Article
    ​ ​Solid effect in the electron spin dressed state: A new approach for dynamic nuclear polarization​
    Weis, V.; Bennati, M. ; Rosay, M. & Griffin, R. G.​ (2000) 
    The Journal of Chemical Physics, 113(16) pp. 6795​-6802​.​ DOI: https://doi.org/10.1063/1.1310599 
    ​Details  DOI 
  • 2000 | Review
    ​ ​The reaction of benzene with a ground state carbon atom, C(P-3(j))​
    Bettinger, H. F.; Schleyer, P. V.; Schaefer, H. F.; Schreiner, P. R.; Kaiser, R. I.& Lee, Y. T.​ (2000)
    The Journal of Chemical Physics, 113​(10) pp. 4250​-4264​.​
    Amer Inst Physics. DOI: https://doi.org/10.1063/1.1286300 
    ​Details  DOI  WoS 
  • 2000 | Review
    ​ ​Statistical rate theory for the HO+O double left right arrow HO2 double left right arrow H+O-2 reaction system: SACM/CT calculations between 0 and 5000 K​
    Harding, L. B.; Maergoiz, A. I.; Troe, J.& Ushakov, V. G.​ (2000)
    The Journal of Chemical Physics, 113​(24) pp. 11019​-11034​.​
    Amer Inst Physics. DOI: https://doi.org/10.1063/1.1314374 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Millimeter-wave spectroscopy and coupled cluster calculations for NCCP​
    Bizzocchi, L.; Esposti, C. D. & Botschwina, P.​ (2000) 
    The Journal of Chemical Physics, 113(4) art. PII [S0021-9606(00)00928-4]​.​ DOI: https://doi.org/10.1063/1.481934 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Collisional energy transfer probabilities of highly excited molecules from kinetically controlled selective ionization (KCSI). I. The KCSI technique: Experimental approach for the determination of P(E-',E) in the quasicontinuous energy range​
    Hold, U.; Lenzer, T.; Luther, K.; Reihs, K. & Symonds, A. C.​ (2000) 
    The Journal of Chemical Physics, 112(9) pp. 4076​-4089​.​ DOI: https://doi.org/10.1063/1.480957 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Collisional energy transfer probabilities of highly excited molecules from kinetically controlled selective ionization (KCSI). II. The collisional relaxation of toluene: P(E ',E) and moments of energy transfer for energies up to 50 000 cm(-1)​
    Lenzer, T.; Luther, K.; Reihs, K. & Symonds, A. C.​ (2000) 
    The Journal of Chemical Physics, 112(9) pp. 4090​-4110​.​ DOI: https://doi.org/10.1063/1.480958 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Theoretical study of the Jahn-Teller effect in (X)over-tilde E-2 CH3O​
    Hoper, U.; Botschwina, P. & Koppel, H.​ (2000) 
    The Journal of Chemical Physics, 112(9) pp. 4132​-4142​.​
    ​Details  WoS 
  • 2000 | Journal Article
    ​ ​Double-resonance overtone photofragment spectroscopy of trans-HONO. I. Spectroscopy and intramolecular dynamics​
    Reiche, F.; Abel, B.; Beck, R. D. & Rizzo, T. R.​ (2000) 
    The Journal of Chemical Physics, 112(20) art. PII [S0021-9606(00)00320-2]​.​ DOI: https://doi.org/10.1063/1.481502 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​The nu(1) and nu(2) bands of Ar center dot center dot center dot HN2+: A joint theoretical/experimental study​
    Botschwina, P.; Oswald, R. B.; Linnartz, H. & Verdes, D.​ (2000) 
    The Journal of Chemical Physics, 113(7) pp. 2736​-2740​.​ DOI: https://doi.org/10.1063/1.1305263 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Structures of the linear silicon carbides SiC4 and SiC6: Isotopic substitution and Ab Initio theory​
    Gordon, V. D.; Nathan, E. S.; Apponi, A. J.; McCarthy, M. C.; Thaddeus, P. & Botschwina, P.​ (2000) 
    The Journal of Chemical Physics, 113(13) art. PII [S0021-9606(00)01537-3]​.​ DOI: https://doi.org/10.1063/1.1290126 
    ​Details  DOI  WoS 

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