Intern
    Arbeitsgruppe Mitric

    Veröffentlichungen des AK Mitrić

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2017   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [133] V. Kunz, J. O. Lindner, M. Schulze, M. I. S. Röhr, D. Schmidt, R. Mitrić, F. Würthner
    "Water Oxidation Catalysis in a Series of Trinuclear Metallosupramolecular Ruthenium Macrocycles" Energy Environ. Sci. 10, 2137 (2017), Hot Article
    http://dx.doi.org/10.1039/C7EE01557G

    [132] J. Hoche, H.-C. Schmitt, A. Humeniuk, I. Fischer, R. Mitrić, M. I. S. Röhr
    "The mechanism of excimer formation: an experimental and theoretical study on the pyrene dimer" Phys. Chem. Chem. Phys. 19, 25002 (2017)
    http://dx.doi.org/10.1039/C7CP03990E

    [131] A. Nowak-Król, M. I. S. Röhr, D. Schmidt, F. Würthner
    "A Crystalline π-Stack Containing Five Stereoisomers: Insights into Conformational Isomorphism, Chirality Inversion, and Disorder"
    Angew. Chem. Int. Ed. 56, 11774 (2017)
    https://doi.org/10.1002/anie.201705445

    [130] M. Wohlgemuth, M. Miyazaki, K. Tsukuda, M. Weiler, O. Dopfer, M. Fujii, R. Mitric
    "Deciphering environment effects in peptide bond solvation dynamics by experiment and theory"
    Phys. Chem. Chem. Phys. 19, 22564 (2017)
    http://dx.doi.org/10.1039/C7CP03992A

    [129] V. Kunz, D. Schmidt, M. I. S. Röhr, R. Mitrić, F. Würthner
    "Supramolecular Approaches to Improve the Performance of Ruthenium‐Based Water Oxidation Catalysts"
    Adv. Energy Mater. 7, 1602939 (2017)
    https://doi.org/10.1002/aenm.201602939

    [128] A. Röder, K. Issler, L. Poisson, A. Humeniuk, M. Wohlgemuth, M.
    Comte, F. Lepetit, I. Fischer, R. Mitric, J. Petersen

    "Femtosecond dynamics of the 2-methylallyl radical: A computational and
    experimental study"
    J. Chem. Phys 147, 013902 (2017)
    http://doi.org/10.1063/1.4974150

    [127] A. Humeniuk, R. Mitrić
    "DFTBaby: A software package for non-adiabatic molecular dynamics
    simulations based on long-range corrected tight-binding TD-DFT(B)"
    Arxiv.org, (2017)
    https://arxiv.org/abs/1703.04049
    Comput. Phys. Commun.( 2017) in press.
    https://doi.org/10.1016/j.cpc.2017.08.012
    DFTBaby Software package: www.dftbaby.chemie.uni-wuerzburg.de

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2016   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [126] A. Humeniuk, R. Mitrić
    "Fully quantum non-adiabatic dynamics in electronic-nuclear coherent state basis"
    Arxiv.org, (2016)
    https://arxiv.org/abs/1604.07185

    [125] M. Wohlgemuth, R. Mitrić
    "Photochemical Chiral Symmetry Breaking in Alanine"
    J. Phys. Chem. A 120, 8976-8982 (2016)
    http://dx.doi.org/10.1021/acs.jpca.6b07611

    [124] A. Humeniuk, R. Mitrić
    "Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states."
    J. Chem. Phys., 144 (23), 234108 (2016)
    http://dx.doi.org/10.1063/1.4954189


    [123] M. I. S. Röhr, P. G. Lisinetskaya, R. Mitrić
    "Excitonic Properties of Ordered Metal Nanocluster Arrays: 2D Silver Clusters at Multiporphyrin Templates"
    J. Phys. Chem. A, 120 (26), 4465–4472 (2016)
    http://dx.doi.org/10.1021/acs.jpca.6b04243


    [122] T. Gerbich, H.-C. Schmitt, I. Fischer, R. Mitrić, J. Petersen
    "Dynamics of Isolated 1,8-Naphthalimide and N-Methyl-1,8-naphthalimide: An Experimental and Computational Study"
    J. Phys. Chem. A, 120 (13), 2089-2095 (2016) 
    http://dx.doi.org/10.1021/acs.jpca.6b01226

    [121] M. I. S. Röhr, R. Mitrić, J. Petersen
    "Vibrationally resolved optical spectra and ultrafast electronic relaxation dynamics of diamantane"
    Phys. Chem. Chem. Phys.  18 (12), 8701-8709 (2016)
    http://dx.doi.org/10.1039/C6CP00137H


    [120] P. G. Lisinetskaya, C. Braun, S. Proch, Y. D. Kim, G. Ganteför, R. Mitrić
    "Excited state nonadiabatic dynamics of bare and solvated anionic gold clusters Au3[H2O]n (n = 0–2)
    Phys. Chem. Chem. Phys. 18, 6411-6419 (2016)
    http://dx.doi.org/10.1039/C5CP04297F


    [119] P. G. Lisinetskaya, M. I. S. Röhr, R. Mitrić
    "First‐principles simulation of light propagation and exciton dynamics in metal cluster nanostructures"
    Appl. Phys. B 122, 175 (2016)
    http://dx.doi.org/10.1007/s00340-016-6436-6

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2015   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [118] M. Miyazaki, T. Nakamura, M. Wohlgemuth, R. Mitrić, O. Dopfer, M. Fujii
    “Single water solvation dynamics in the 4-aminobenzonitrile-water cluster cation revealed by picosecond time-resolved infrared spectroscopy”
    Phys. Chem. Chem. Phys. 17, 29969-29977 (2015)
    http://dx.doi.org/10.1039/c5cp05400a

    [117] A. Humeniuk, R. Mitrić
    "Long-range correction for tight-binding TD-DFT"
    J. Chem. Phys. 143, 134120 (2015),
     http://dx.doi.org/10.1063/1.4931179

    [116] C. Lambert, F. Koch, S. F. Voelker, A. Schmiedel, M. Holzapfel, A. Humeniuk, M. I. S. Röhr, R. Mitrić, T. Brixner
    "Energy Transfer Between Squaraine Polymer Sections: From Helix to Zigzag and All the Way Back"
    J. Am. Chem. Soc. 137, 7851-7861 (2015)
    http://dx.doi.org/10.1021/jacs.5b03644

    [115] T. Gerbich, H.-C. Schmitt, I. Fischer, J. Petersen, J. Albert, R. Mitrić
    "Time-Resolved Study of 1,8-Naphthalic Anhydride and 1,4,5,8-Naphthalene-tetracarboxylic Dianhydride"
    J. Phys. Chem. A 119, 6006-6016 (2015)
    http://dx.doi.org/10.1021/jp511843q

    [114] P. G. Lisinetskaya, R. Mitrić
    "Optimal control of light propagation and exciton transfer in arrays of molecular-like noble-metal clusters"
    Phys. Rev. B 91, 125436 (2015)
    http://dx.doi.org/10.1103/PhysRevB.91.125436

    [113] J. Megow, M. I. S. Röhr, M. Schmidt am Busch, T. Renger, R. Mitrić, S. Kirstein, J. P. Rabe, V. May
    "Site-dependence of van der Waals interaction explains exciton spectra of double-walled tubular J-aggregates"
    Phys. Chem. Chem. Phys. 17, 6741-6747 (2015)
    http://dx.doi.org/10.1039/C4CP05945J

    [112] R. Richter, M. I. S. Röhr, T. Zimmermann, J. Petersen, C. Heidrich, R. Rahner, T. Möller, J. E. Dahl, R. M. K. Carlson, R. Mitrić, T. Rander, A. Merli
    "Laser Induced Fluorescence of Free Diamondoid Molecules"
    Phys. Chem. Chem. Phys. 17, 4739-4749 (2015)
    http://dx.doi.org/10.1039/C4CP04423A

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2014   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [111] M. Wohlgemuth, M. Miyazaki, M. Weiler, M. Sakai, O. Dopfer, M. Fujii, R. Mitrić
    "Solvation Dynamics of a Single Water Molecule Probed by Infrared Spectra - Theory Meets Experiment"
    Angew. Chem. Int. Ed., 53, 14601-14604 (2014)
    http://dx.doi.org/10.1002/anie.201409047

    [110] A. Humeniuk, R. Mitrić
    "Excited states from quantum Monte Carlo in the basis of Slater determinants"
    J. Chem. Phys., 141, 194104 (2014)
    http://dx.doi.org/10.1063/1.4901020

    [109] G. Tomasello, A. Humeniuk, R. Mitrić
    "Exploring Ultrafast Dynamics of Pyrazine by Time-Resolved Photoelectron Imaging"
    J. Phys. Chem. A, 118, 8437-8445 (2014)
    http://dx.doi.org/10.1021/jp5017328

    [108] M. Holz, J. Wichmann, R. Mitrić, L. Wöste, A. Lindinger
    "Photo-oxidation by laser pulse induced desorption of phthalocyanines"
    Int. J. Mass. Spectrom., 365, 89-92 (2014)
    http://dx.doi.org/10.1016/j.ijms.2014.03.005

    [107] Y. Yamamoto, Y. I. Suzuki, G. Tomasello, T. Horio, S. Karashima, R. Mitrić, T. Suzuki
    "Time- and Angle-Resolved Photoemission Spectroscopy of Hydrated Electrons Near a Liquid Water Surface"
    Phys. Rev. Lett., 112, 187603 (2014)
    http://dx.doi.org/10.1103/PhysRevLett.112.187603

    [106] J. Giegerich, J. Petersen, R. Mitrić, I. Fischer
    "Photodissociation dynamics of propargylene, HCCCH"
    Phys. Chem. Chem. Phys., 16, 6294-6302 (2014)
    http://dx.doi.org/10.1039/C3CP53213E

    [105] P. G. Lisinetskaya, R. Mitrić
    "Ab initio simulations of light propagation in silver cluster nanostructures"
    Phys. Rev. B, 89, 035433 (2014)
    http://dx.doi.org/10.1103/PhysRevB.89.035433

    [104] R. Richter, D. Wolter, T. Zimmermann, L. Landt, A. Knecht, C. Heidrich, A. Merli, O. Dopfer, P. Reiß, A. Ehresmann, J. Petersen, J. E. Dahl, R. M. K. Carlson, C. Bostedt, T. Möller, R. Mitrić, T. Rander
    "Size and shape dependent photoluminescence and excited state decay rates of diamondoids"
    Phys. Chem. Chem. Phys., 16, 3070-3076 (2014)
    http://dx.doi.org/10.1039/C3CP54570A

    [103] Z. Sanader, R. Mitrić, V. Bonačić-Koutecký, B. Bellina, R. Antoine, P. Dugourd
    "The nature of electronic excitations at the metal-bioorganic interface illustrated on histidine-silver hybrids"
    Phys. Chem. Chem. Phys., 16, 1257-1261 (2014)
    http://dx.doi.org/10.1039/c3cp52712c

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2013   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [102] A. Humeniuk, M. Wohlgemuth, T. Suzuki, R. Mitrić
    "Time-resolved photoelectron imaging spectra from non-adiabatic molecular dynamics simulations"
    J. Chem. Phys., 139, 134104 (2013)
    http://dx.doi.org/10.1063/1.4820238

    [101] L. Gell, A. Kulesza, J. Petersen, M. I. S. Röhr, R. Mitrić, V. Bonačić-Koutecký
    "Tuning Structural and Optical Properties of Thiolate-Protected Silver Clusters by Formation of a Silver Core with Confined Electrons"
    J. Phys. Chem. C, 117, 14824-14831 (2013)
    http://dx.doi.org/10.1021/jp402931w

    [100] Z. Sanader, C. Brunet, M. Broyer, R. Antoine, P. Dugourd, R. Mitrić, V. Bonačić-Koutecký
    "Cation induced electrochromism in 2,4-dinitrophenylhydrazine (DNPH): Tuning optical properties of aromatic rings"
    Chem. Phys. Lett., 570, 22-25 (2013)
    http://dx.doi.org/10.1016/j.cplett.2013.03.049

    [99] M. I. S. Röhr, J. Petersen, M. Wohlgemuth, V. Bonačić-Koutecký, R. Mitrić
    "Nonlinear Absorption Dynamics Using Field-Induced Surface Hopping: Zinc Porphyrin in Water"
    ChemPhysChem, 14, 1377-1386 (2013)
    http://dx.doi.org/10.1002/cphc.201300053

    [98] J. Neugebauer, M. Hanrath, R. Mitrić
    "Theoretical Chemistry"
    Nachr. Chem., 61, 320-329 (2013)
    http://onlinelibrary.wiley.com/doi/10.1002/nadc.201390090/abstract

    [97] F. Bertorelle, R. Hamouda, D. Rayane, M. Broyer, R. Antoine, P. Dugourd, L. Gell, A. Kulesza, R. Mitrić, V. Bonačić-Koutecký
    "Synthesis, characterization and optical properties of low nuclearity liganded silver clusters: Ag31(SG)19 and Ag15(SG)11"
    Nanoscale, 5, 5637-5643 (2013)
    http://dx.doi.org/10.1039/c3nr00677h

    [96] B. Bellina, R. Antoine, M. Broyer, L. Gell, Z. Sanader, R. Mitrić, V. Bonačić-Koutecký, P. Dugourd
    "Formation and characterization of thioglycolic acid-silver cluster complexes"
    Dalton Trans., 42, 8328-8333 (2013)
    http://dx.doi.org/10.1039/c3dt50485a

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2012   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [95] J. P. Götze, C. Greco, R. Mitrić, V. Bonačić-Koutecký, P. Saalfrank
    "BLUF Hydrogen network dynamics and UV/Vis spectra: A combined molecular dynamics and quantum chemical study"
    J. Comput. Chem., 33, 2233-2242 (2012)
    http://dx.doi.org/10.1002/jcc.23056

    [94] G. Tomasello, M. Wohlgemuth, J. Petersen, R. Mitrić
    "Photodynamics of Free and Solvated Tyrosine"
    J. Phys. Chem. B, 116, 8762-8770 (2012)
    http://dx.doi.org/10.1021/jp302179m

    [93] M. Bruschi, L. Bertini, V. Bonačić-Koutecký, L. De Gioia, R. Mitrić, G. Zampella, P. Fantucci
    "Speciation of Copper-Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex"
    J. Phys. Chem. B, 116, 6250-6260 (2012)
    http://dx.doi.org/10.1021/jp210409c

    [92] M. Nößler, R. Mitrić, V. Bonačić-Koutecký
    "Binary Neutral Metal Oxide Clusters with Oxygen Radical Centers for Catalytic Oxidation Reactions: From Cluster Models Toward Surfaces"
    J. Phys. Chem. C, 116, 11570-11574 (2012)
    http://dx.doi.org/10.1021/jp301553s

    [91] M. Vogel, C. Kasigkeit, K. Hirsch, A. Langenberg, J. Rittmann, V. Zamudio-Bayer, A. Kulesza, R. Mitrić, T. Möller, B. Von Issendorff, J. T. Lau
    "2p core-level binding energies of size-selected free silicon clusters: Chemical shifts and cluster structure"
    Phys. Rev. B, 85, 195454 (2012)
    http://dx.doi.org/10.1103/PhysRevB.85.195454

    [90] M. I. S. Röhr, J. Petersen, C. Brunet, R. Antoine, M. Broyer, P. Dugourd, V. Bonačić-Koutecký, R. A. J. O'Hair, R. Mitrić
    "Synthesis and Spectroscopic Characterization of Diphenylargentate, [(C6H5)2Ag]-"
    J. Phys. Chem. Lett., 3, 1197-1201 (2012)
    http://dx.doi.org/10.1021/jz300280f

    [89] J. Megow, Y. Zelinskyy, B. Röder, A. Kulesza, R. Mitrić, V. May
    "Transient absorption spectra of excitation energy transfer in supramolecular complexes: A mixed quantum-classical description of pheophorbide-a systems"
    Chem. Phys. Lett., 522, 103-107 (2012)
    http://dx.doi.org/10.1016/j.cplett.2011.11.074

    [88] J. Stanzel, M. Neeb, W. Eberhardt, P. G. Lisinetskaya, J. Petersen, R. Mitrić
    "Switching from molecular to bulklike dynamics in electronic relaxation of a small gold cluster"
    Phys. Rev. A, 85, 013201 (2012)
    http://dx.doi.org/10.1103/PhysRevA.85.013201

    [87] B. Bellina, I. Compagnon, L. MacAleese, F. Chirot, J. Lemoine, P. Maitre, M. Broyer, R. Antoine, A. Kulesza, R. Mitrić, V. Bonačić-Koutecký, P. Dugourd:
    "Binding motifs of silver in prion octarepeat model peptides: a joint ion mobility, IR and UV spectroscopies, and theoretical approach"
    Phys. Chem. Chem. Phys., 14, 11433-11440 (2012)
    http://dx.doi.org/10.1039/c2cp40924k

    [86] V. Bonačić-Koutecký, A. Kulesza, L. Gell, R. Mitrić, R. Antoine, F. Bertorelle, R. Hamouda, D.
    Rayane, M. Broyer, T. Tabarin, P. Dugourd

    "Silver cluster-biomolecule hybrids: from basics towards sensors"
    Phys. Chem. Chem. Phys., 14, 9282-9290 (2012)
    http://dx.doi.org/10.1039/c2cp00050d

    [85] J. M. Wichmann, R. Mitrić, C. Weise, M. Holz, A. Lindinger
    "Modification of the secondary structure of angiotensin II by substitution of hydrogen with Cs cations: an experimental and theoretical study"
    Phys. Chem. Chem. Phys., 14, 9301-9305 (2012)
    http://dx.doi.org/10.1039/c2cp22808d

    [84] A. Kulesza, R. Mitrić, V. Bonačić-Koutecký
    "Theoretical study of structural and optical properties of noble metal cluster-dipeptide hybrids at defect centers of MgO"
    Phys. Chem. Chem. Phys., 14, 9330-9335 (2012)
    http://dx.doi.org/10.1039/c2cp23500e

    [83] J. Petersen, R. Mitrić
    "Electronic coherence within the semiclassical field-induced surface hopping method: strong field quantum control in K2"
    Phys. Chem. Chem. Phys., 14, 8299-8306 (2012)
    http://dx.doi.org/10.1039/c2cp40747g

    [82] J. Petersen, M. Wohlgemuth, B. Sellner, V. Bonačić-Koutecký, H. Lischka, R. Mitrić
    "Laser pulse trains for controlling excited state dynamics of adenine in water"
    Phys. Chem. Chem. Phys., 14, 4687-4694 (2012)
    http://dx.doi.org/10.1039/c2cp24002e

    [81] E. C. Tyo, M. Nößler, S. Rabe, C. L. Harmon, R. Mitrić, V. Bonačić-Koutecký, A. W. Castleman
    "Exploring similarities in reactivity of superatom species: a combined theoretical and experimental investigation"
    Phys. Chem. Chem. Phys., 14, 1846-1849 (2012)
    http://dx.doi.org/10.1039/c2cp23243j

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2011   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [80] B. Bellina, I. Compagnon, F. Bertorelle, M. Broyer, R. Antoine, P. Dugourd, L. Gell, A. Kulesza, R.
    Mitrić, V. Bonačić-Koutecký
    "Structural and Optical Properties of Isolated Noble Metal-Glutathione Complexes: Insight into the Chemistry of Liganded Nanoclusters"
    J. Phys. Chem. C, 115, 24549-24554 (2011)
    http://dx.doi.org/10.1021/jp207158v

    [79] E. C. Tyo, M. Nößler, C. L. Harmon, R. Mitrić, V. Bonačić-Koutecký, A. W. Castleman
    "Investigating Reactive Superoxide Units Bound to Zirconium Oxide Cations"
    J. Phys. Chem. C, 115, 21559-21566 (2011)
    http://dx.doi.org/10.1021/jp204453a

    [78] J. J. Melko, U. Werner, R. Mitrić, V. Bonačić-Koutecký, A. W. Castleman
    "Electronic Structure Similarities in PbxSby- and SnxBiy- Clusters"
    J. Phys. Chem. A, 115, 10276-10280 (2011)
    http://dx.doi.org/10.1021/jp207474h

    [77] C. Brunet, R. Antoine, M. Broyer, P. Dugourd, A. Kulesza, J. Petersen, M. I. S. Röhr, R. Mitrić, V.
    Bonačić-Koutecký, R. A. J. O'Hair
    :
    "Structural and Photochemical Properties of Organosilver Reactive Intermediates MeAg2+ and PhAg2+"
    J. Phys. Chem. A, 115, 9120-9127 (2011)
    http://dx.doi.org/10.1021/jp205716a

    [76] M. Wohlgemuth, V. Bonačić-Koutecký, R. Mitrić
    "Time-dependent density functional theory excited state nonadiabatic dynamics combined with quantum mechanical/molecular mechanical approach: Photodynamics of indole in water"
    J. Chem. Phys., 135, 054105 (2011)
    http://dx.doi.org/10.1063/1.3622563

    [75] R. Mitrić, J. Petersen, M. Wohlgemuth, U. Werner, V. Bonačić-Koutecký, L. Wöste, J. Jortner
    "Time-Resolved Femtosecond Photoelectron Spectroscopy by Field-Induced Surface Hopping"
    J. Phys. Chem. A, 115, 3755-3765 (2011)
    http://dx.doi.org/10.1021/jp106355n

    [74] R. Mitrić, J. Petersen, A. Kulesza, M. I. S. Röhr, V. Bonačić-Koutecký, C. Brunet, R. Antoine, P.
    Dugourd, M. Broyer, R. A. J. O'Hair

    "Gas-Phase Synthesis and Vibronic Action Spectroscopy of Ag2H+"
    J. Phys. Chem. Lett., 2, 548-552 (2011)
    http://dx.doi.org/10.1021/jz101733v

    [73] P. G. Lisinetskaya, R. Mitrić:
    "Simulation of laser-induced coupled electron-nuclear dynamics and time-resolved harmonic spectra in complex systems"
    Phys. Rev. A, 83, 033408 (2011)
    http://dx.doi.org/10.1103/PhysRevA.83.033408

    [72] D. M. Popolan, M. Nößler, R. Mitrić, T. M. Bernhardt, V. Bonačić-Koutecký
    "Tuning Cluster Reactivity by Charge State and Composition: Experimental and Theoretical Investigation of CO Binding Energies to AgnAum+/- (n+m=3)"
    J. Phys. Chem. A, 115, 951-959 (2011)
    http://dx.doi.org/10.1021/jp106884p

    [71] A. Kulesza, R. Mitrić, V. Bonačić-Koutecký:
    "Unique optical properties of silver cluster-biochromophore hybrids: Comparison with copper and gold"
    Chem. Phys. Lett., 501, 211-214 (2011)
    http://dx.doi.org/10.1016/j.cplett.2010.11.026

    [70] A. Kulesza, R. Mitrić, V. Bonačić-Koutecký, B. Bellina, I. Compagnon, M. Broyer, R. Antoine, P.
    Dugourd

    "Doubly Charged Silver Clusters Stabilized by Tryptophan: Ag42+ as an Optical Marker for Monitoring Particle Growth"
    Angew. Chem.-Int. Edit., 50, 878-881 (2011)
    http://dx.doi.org/10.1002/anie.201005419

    [69] E. C. Tyo, M. Nößler, R. Mitrić, V. Bonačić-Koutecký, A. W. Castleman
    "Reactivity of stoichiometric titanium oxide cations"
    Phys. Chem. Chem. Phys., 13, 4243-4249 (2011)
    http://dx.doi.org/10.1039/c0cp02170a

    [68] R. Mitrić, J. Petersen, M. Wohlgemuth, U. Werner, V. Bonačić-Koutecký
    "Field-induced surface hopping method for probing transition state nonadiabatic dynamics of Ag3"
    Phys. Chem. Chem. Phys., 13, 8690-8696 (2011)
    http://dx.doi.org/10.1039/c0cp02935a

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2010   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [67] T. Fuji, Y. I. Suzuki, T. Horio, T. Suzuki, R. Mitrić, U. Werner, V. Bonačić-Koutecký
    "Ultrafast photodynamics of furan"
    J. Chem. Phys., 133, 234303 (2010)
    http://dx.doi.org/10.1063/1.3518441

    [66] M. Barbatti, J. Pittner, M. Pederzoli, U. Werner, R. Mitrić, V. Bonačić-Koutecký, H. Lischka
    "Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy"
    Chem. Phys., 375, 26-34 (2010)
    http://dx.doi.org/10.1016/j.chemphys.2010.07.014

    [65] J. Petersen, R. Mitrić, V. Bonačić-Koutecký, J. P. Wolf, J. Roslund, H. Rabitz
    "How Shaped Light Discriminates Nearly Identical Biochromophores"
    Phys. Rev. Lett., 105, 073003 (2010)
    http://dx.doi.org/10.1103/PhysRevLett.105.073003

    [64] U. Werner, R. Mitrić, V. Bonačić-Koutecký
    "Simulation of time resolved photoelectron spectra with Stieltjes imaging illustrated on ultrafast internal conversion in pyrazine"
    J. Chem. Phys., 132, 174301 (2010)
    http://dx.doi.org/10.1063/1.3395160

    [63] C. Bürgel, R. Mitrić, V. Bonačić-Koutecký
    "Theoretical study of structural and optical properties of small silver and gold clusters at defect centers of MgO"
    Phys. Status Solidi B-Basic Solid State Phys., 247, 1099-1108 (2010)
    http://dx.doi.org/10.1002/pssb.200945503

    [62] L. Landt, C. Bostedt, D. Wolter, T. Möller, J. E. P. Dahl, R. M. K. Carlson, B. A. Tkachenko, A. A.
    Fokin, P. R. Schreiner, A. Kulesza, R. Mitrić, V. Bonačić-Koutecký

    "Experimental and theoretical study of the absorption properties of thiolated diamondoids"
    J. Chem. Phys., 132, 144305 (2010)
    http://dx.doi.org/10.1063/1.3356034

    [61] M. Nößler, R. Mitrić, V. Bonačić-Koutecký, G. E. Johnson, E. C. Tyo, A. W. Castleman
    "Generation of Oxygen Radical Centers in Binary Neutral Metal Oxide Clusters for Catalytic Oxidation Reactions"
    Angew. Chem.-Int. Edit., 49, 407-410 (2010)
    http://dx.doi.org/10.1002/anie.200905434

    [60] D. M. Popolan, M. Nößler, R. Mitrić, T. M. Bernhardt, V. Bonačić-Koutecký
    "Composition dependent adsorption of multiple CO molecules on binary silver-gold clusters AgnAum+ (n + m=5): theory and experiment"
    Phys. Chem. Chem. Phys., 12, 7865-7873 (2010)
    http://dx.doi.org/10.1039/b924022e

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2009   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [59] R. Mitrić, U. Werner, M. Wohlgemuth, G. Seifert, V. Bonačić-Koutecký
    "Nonadiabatic Dynamics within Time-Dependent Density Functional Tight Binding Method"
    J. Phys. Chem. A, 113, 12700-12705 (2009)
    http://dx.doi.org/10.1021/jp905600w

    [58] L. Joly, R. Antoine, F. Albrieux, R. Ballivian, M. Broyer, F. Chirot, J. Lemoine, P. Dugourd, C. Greco,
    R. Mitrić, V. Bonačić-Koutecký

    "Optical and Structural Properties of Copper-Oxytocin Dications in the Gas Phase"
    J. Phys. Chem. B, 113, 11293-11300 (2009)
    http://dx.doi.org/10.1021/jp9037478

    [57] G. E. Johnson, R. Mitrić, V. Bonačić-Koutecký, A. W. Castleman
    "Clusters as model systems for investigating nanoscale oxidation catalysis"
    Chem. Phys. Lett., 475, 1-9 (2009)
    http://dx.doi.org/10.1016/j.cplett.2009.04.003

    [56] R. Mitrić, J. Petersen, V. Bonačić-Koutecký
    "Laser-field-induced surface-hopping method for the simulation and control of ultrafast photodynamics"
    Phys. Rev. A, 79, 053416 (2009)
    http://dx.doi.org/10.1103/PhysRevA.79.053416

    [55] A. Kulesza, R. Mitrić, V. Bonačić-Koutecký
    "Silver Cluster Chromophores for Absorption Enhancement of Peptides"
    J. Phys. Chem. A, 113, 3783-3788 (2009)
    http://dx.doi.org/10.1021/jp809118q

    [54] G. E. Johnson, R. Mitrić, M. Nößler, E. C. Tyo, V. Bonačić-Koutecký, A. W. Castleman
    "Influence of Charge State on Catalytic Oxidation Reactions at Metal Oxide Clusters Containing Radical Oxygen Centers"
    J. Am. Chem. Soc., 131, 5460-5470 (2009)
    http://dx.doi.org/10.1021/ja807499z

    [53] A. Kulesza, R. Mitrić, V. Bonačić-Koutecký
    "Silver cluster induced absorption enhancement and conformation control of peptides"
    Eur. Phys. J. D, 52, 203-206 (2009)
    http://dx.doi.org/10.1140/epjd/e2009-00056-2

    [52] R. Antoine, F. Bertorelle, M. Broyer, I. Compagnon, P. Dugourd, A. Kulesza, R. Mitrić, V. Bonačić-Koutecký
    "Gas-Phase Synthesis and Intense Visible Absorption of Tryptophan-Gold Cations"
    Angew. Chem.-Int. Edit., 48, 7829-7832 (2009)
    http://dx.doi.org/10.1002/anie.200902882

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2008   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [51] T. Tabarin, A. Kulesza, R. Antoine, R. Mitrić, M. Broyer, P. Dugourd, V. Bonačić-Koutecký
    "Absorption Enhancement and Conformational Control of Peptides by Small Silver Clusters"
    Phys. Rev. Lett., 101, 213001 (2008)
    http://dx.doi.org/10.1103/PhysRevLett.101.213001

    [50] R. Mitrić, U. Werner, V. Bonačić-Koutecký
    "Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline"
    J. Chem. Phys., 129, 164118 (2008)
    http://dx.doi.org/10.1063/1.3000012

    [49] G. E. Johnson, R. Mitrić, E. C. Tyo, V. Bonačić-Koutecký, A. W. Castleman
    "Stoichiometric zirconium oxide cations as potential building blocks for cluster assembled catalysts"
    J. Am. Chem. Soc., 130, 13912-13920 (2008)
    http://dx.doi.org/10.1021/ja803246n

    [48] V. Bonačić-Koutecký, R. Mitrić, C. Buergel, M. Nößler
    "Ultrafast dynamics in noble metal clusters: The role of internal vibrational redistribution"
    Chem. Phys., 350, 111-117 (2008)
    http://dx.doi.org/10.1016/j.chemphys.2008.01.009

    [47] U. Werner, R. Mitrić, T. Suzuki, V. Bonačić-Koutecký
    "Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine"
    Chem. Phys., 349, 319-324 (2008)
    http://dx.doi.org/10.1016/j.chemphys.2008.02.061

    [46] C. Bürgel, N. M. Reilly, G. E. Johnson, R. Mitrić, M. L. Kimble, A. W. Castleman, V. Bonačić-Koutecký:
    "Influence of charge state on the mechanism of CO oxidation on gold clusters"
    J. Am. Chem. Soc., 130, 1694-1698 (2008)
    http://dx.doi.org/10.1021/ja0768542

    [45] R. Mitrić, J. Petersen, A. Kulesza, V. Bonačić-Koutecký, T. Tabarin, I. Compagnon, R. Antoine, M. Broyer, P. Dugourd
    "Absorption properties of cationic silver cluster-tryptophan complexes: A model for photoabsorption and photoemission enhancement in nanoparticle-biomolecule systems"
    Chem. Phys., 343, 372-380 (2008)
    http://dx.doi.org/10.1016/j.chemphys.2007.09.033

    [44] M. Bruschi, L. De Gioia, R. Mitrić, V. Bonačić-Koutecký, P. Fantucci
    "A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein"
    Phys. Chem. Chem. Phys., 10, 4573-4583 (2008)
    http://dx.doi.org/10.1039/b718603g

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2007   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [43] V. Bonačić-Koutecký, C. Bürgel, L. Kronik, A. E. Kuznetsov, R. Mitrić
    "Optical properties of small silver clusters supported at MgO"
    Eur. Phys. J. D, 45, 471-476 (2007)
    http://dx.doi.org/10.1140/epjd/e2007-00166-9

    [42] T. Gleitsmann, M. E. Vaida, T. M. Bernhardt, V. Bonačić-Koutecký, C. Bürgel, A. E. Kuznetsov, R. Mitrić
    "Mass-selected Ag3 clusters soft-landed onto MgO/Mo(100): femtosecond photoemission and firstprinciples simulations"
    Eur. Phys. J. D, 45, 477-483 (2007)
    http://dx.doi.org/10.1140/epjd/e2007-00257-7

    [41] J. Stanzel, F. Burmeister, M. Neeb, W. Eberhardt, R. Mitrić, C. Bürgel, V. Bonačić-Koutecký
    "Size-dependent dynamics in excited states of gold clusters: From oscillatory motion to photoinduced melting"
    J. Chem. Phys., 127, 164312 (2007)
    http://dx.doi.org/10.1063/1.2795727

    [40] R. Mitrić, J. Petersen, A. Kulesza, V. Bonačić-Koutecký, T. Tabarin, I. Compagnon, R. Antoine, M. Broyer, P. Dugourd
    "Photoabsorption and photofragmentation of isolated cationic silver cluster-tryptophan hybrid systems"
    J. Chem. Phys., 127, 134301 (2007)
    http://dx.doi.org/10.1063/1.2772630

    [39] R. Mitrić, V. Bonačić-Koutecký
    "Optimal control of mode-selective femtochemistry in multidimensional systems"
    Phys. Rev. A, 76, 031405 (2007)
    http://dx.doi.org/10.1103/PhysRevA.76.031405

    [38] R. Mitrić, U. Werner, C. Bürgel, V. Bonačić-Koutecký
    "Dynamical aspects and the role of IVR for the reactivity of noble metal clusters towards molecular oxygen"
    Eur. Phys. J. D, 43, 201-204 (2007)
    http://dx.doi.org/10.1140/epjd/e2007-00113-x

    [37] M. L. Kimble, N. A. Moore, A. W. Castleman, C. Bürgel, R. Mitrić, V. Bonačić-Koutecký
    "Reactivity of anionic gold oxide clusters towards CO: experiment and theory"
    Eur. Phys. J. D, 43, 205-208 (2007)
    http://dx.doi.org/10.1140/epjd/e2007-00119-4

    [36] T. Tabarin, R. Antoine, I. Compagnon, M. Broyer, P. Dugourd, R. Mitrić, J. Petersen, V. Bonačić-Koutecký
    "Optical absorption of isolated silver cluster-tryptophan: A joint experimental and theoretical study"
    Eur. Phys. J. D, 43, 275-278 (2007)
    http://dx.doi.org/10.1140/epjd/e2007-00118-5

    [35] R. Mitrić, C. Bürgel, V. Bonačić-Koutecký
    "Reactivity-promoting criterion based on internal vibrational energy redistribution"
    Proc. Natl. Acad. Sci. U. S. A., 104, 10314-10317 (2007)
    http://dx.doi.org/10.1073/pnas.0704066104

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2006   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [34] M. L. Kimble, N. A. Moore, G. E. Johnson, A. W. Castleman, C. Bürgel, R. Mitrić, V. Bonačić-Koutecký
    "Joint experimental and theoretical investigations of the reactivity of Au2On- and Au3On- (n=1-5) with carbon monoxide"
    J. Chem. Phys., 125, 204311 (2006)
    http://dx.doi.org/10.1063/1.2371002

    [33] I. Compagnon, T. Tabarin, R. Antoine, M. Broyer, P. Dugourd, R. Mitrić, J. Petersen, V. Bonačić-Koutecký
    "Spectroscopy of isolated, mass-selected tryptophan-Ag3 complexes: A model for photoabsorption enhancement in nanoparticle-biomolecule hybrid systems"
    J. Chem. Phys., 125, 164326 (2006)
    http://dx.doi.org/10.1063/1.2357947

    [32] B. Schäfer-Bung, R. Mitrić, V. Bonačić-Koutecký:
    "Photostabilization of the ultracold Rb2 molecule by optimal control"
    J. Phys. B-At. Mol. Opt. Phys., 39, S1043-S1053 (2006)
    http://dx.doi.org/10.1088/0953-4075/39/19/S16

    [31] A. Springer, C. Bürgel, V. Böhrsch, R. Mitrić, V. Bonačić-Koutecký, M. W. Linscheid
    "The gas-phase chemistry of cis-diammineplatinum(II) complexes: A joint experimental and theoretical study"
    ChemPhysChem, 7, 1779-1785 (2006)
    http://dx.doi.org/10.1002/cphc.200600177

    [30] R. Mitrić, V. Bonačić-Koutecký, J. Pittner, H. Lischka
    "Ab initio nonadiabatic dynamics study of ultrafast radiationless decay over conical intersections illustrated on the Na3F cluster"
    J. Chem. Phys., 125, 024303 (2006)
    http://dx.doi.org/10.1063/1.2209233

    [29] V. Bonačić-Koutecký, R. Mitrić, U. Werner, L. Wöste, R. S. Berry
    "Ultrafast dynamics in atomic clusters: Analysis and control"
    Proc. Natl. Acad. Sci. U. S. A., 103, 10594-10599 (2006)
    http://dx.doi.org/10.1073/pnas.0600151103

    [28] V. Bonačić-Koutecký, R. Mitrić, C. Bürgel, B. Schäfer-Bung
    "Cluster properties in the regime in which each atom counts"
    Comput. Mater. Sci., 35, 151-157 (2006)
    http://dx.doi.org/10.1016/j.commatsci.2004.12.075

    [27] N. A. Moore, R. Mitrić, D. R. Justes, V. Bonačić-Koutecký, A. W. Castleman
    "Kinetic analysis of the reaction between (V2O5)n=1,2+ and ethylene"
    J. Phys. Chem. B, 110, 3015-3022 (2006)
    http://dx.doi.org/10.1021/jp055652u

    [26] R. Antoine, T. Tabarin, M. Broyer, P. Dugourd, R. Mitrić, V. Bonačić-Koutecký
    "Optical properties of gas-phase tryptophan-silver cations: Charge transfer from the indole ring to the silver atom"
    ChemPhysChem, 7, 524-528 (2006)
    http://dx.doi.org/10.1002/cphc.200500495

    [25] V. Bonačić-Koutecký, R. Mitrić, T. M. Bernhardt, L. Wöste, J. Jortner
    "Analysis and Control of Ultrafast Dynamics in Clusters: Theory and Experiment"
    Adventures In Chemical Physics, 132, 179-246 (2006)
    http://onlinelibrary.wiley.com/doi/10.1002/0471759309.ch5/summary

    [24] C. Bürgel, R. Mitrić, V. Bonačić-Koutecký
    "Emissive properties of silver particles at silver oxide surface defects"
    Appl. Phys. A-Mater. Sci. Process., 82, 117-123 (2006)
    http://dx.doi.org/10.1007/s00339-005-3344-8

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2005   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [23] V. Bonačić-Koutecký, R. Mitrić, C. Bürgel, H. Noack, M. Hartmann, J. Pittner
    "Tailoring the chemical reactivity and optical properties of clusters by size, structures and lasers"
    Eur. Phys. J. D, 34, 113-118 (2005)
    http://dx.doi.org/10.1140/epjd/e2005-00098-4

    [22] T. M. Bernhardt, J. Hagen, L. D. Socaciu, R. Mitrić, A. Heidenreich, J. Le Roux, D. Popolan, M. Vaida, L. Wöste, V. Bonačić-Koutecký, J. Jortner
    "Ferntosecond time-resolved geometry relaxation and ultrafast intramolecular energy redistribution in Ag2Au energy" energy"
    ChemPhysChem, 6, 243-253 (2005)
    http://dx.doi.org/10.1002/cphc.200400454

    [21] V. Bonačić-Koutecký, R. Mitrić
    "Theoretical exploration of ultrafast dynamics in atomic clusters: Analysis and control"
    Chem. Rev., 105, 11-65 (2005)
    http://dx.doi.org/10.1021/cr0206925

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2004   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [20] G. Durand, M. C. Heitz, F. Spiegelman, C. Meier, R. Mitrić, V. Bonačić-Koutecký, J. Pittner:
    "Different approaches for the calculation of electronic excited states of nonstoichiometric alkali halide clusters: The example of Na3F"
    J. Chem. Phys., 121, 9898-9905 (2004)
    http://dx.doi.org/10.1063/1.1802432

    [19] M. C. Heitz, G. Durand, F. Spiegelman, C. Meier, R. Mitrić, V. Bonačić-Koutecký
    "Ultrafast excited state dynamics of the Na3F cluster: Quantum wave packet and classical trajectory calculations compared to experimental results"
    J. Chem. Phys., 121, 9906-9916 (2004)
    http://dx.doi.org/10.1063/1.1802451

    [18] C. Sieber, J. Buttet, W. Harbich, C. Felix, R. Mitrić, V. Bonačić-Koutecký
    "Isomer-specific spectroscopy of metal clusters trapped in a matrix: Ag-9"
    Phys. Rev. A, 70, 041201 (2004)
    http://dx.doi.org/10.1103/PhysRevA.70.041201

    [17] V. Bonačić-Koutecký, R. Mitrić, M. Hartmann, J. Pittner
    "Theoretical approach for simulation of femtosecond spectra: New strategies for optimal control of complex systems"
    Int. J. Quantum Chem., 99, 408-420 (2004)
    http://dx.doi.org/10.1002/qua.10845

    [16] B. Schäfer-Bung, R. Mitrić, V. Bonačić-Koutecký, A. Bartelt, C. Lupulescu, A. Lindinger, S. Vajda, S. M. Weber, L. Wöste
    "Optimal control of ionization processes in NaK: Comparison between theory and experiment"
    J. Phys. Chem. A, 108, 4175-4179 (2004)
    http://dx.doi.org/10.1021/jp049153p

    [15] J. Hagen, L. D. Socaciu, J. Le Roux, D. Popolan, T. M. Bernhardt, L. Wöste, R. Mitrić, H. Noack, V. Bonačić-Koutecký
    "Cooperative effects in the activation of molecular oxygen by anionic silver clusters"
    J. Am. Chem. Soc., 126, 3442-3443 (2004)
    http://dx.doi.org/10.1021/ja038948r

    [14] M. L. Kimble, A. W. Castleman, R. Mitrić, C. Bürgel, V. Bonačić-Koutecký
    "Reactivity of atomic gold anions toward oxygen and the oxidation of CO: Experiment and theory"
    J. Am. Chem. Soc., 126, 2526-2535 (2004)
    http://dx.doi.org/10.1021/ja030544b

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2003   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [13] A. Fielicke, R. Mitrić, G. Meijer, V. Bonačić-Koutecký, G. von Helden
    "The structures of vanadium oxide cluster-ethene complexes. A combined IR multiple photon dissociation spectroscopy and DFT calculation study"
    J. Am. Chem. Soc., 125, 15716-15717 (2003)
    http://dx.doi.org/10.1021/ja036264d

    [12] T. Hrenar, R. Mitrić, Z. Meic, H. Meier, U. Stalmach
    "Vibrational spectra and DFT calculations of PPV-oligomers"
    J. Mol. Struct., 661, 33-40 (2003)
    http://dx.doi.org/10.1016/S0022-2860(03)00526-X

    [11] W. T. Wallace, R. B. Wyrwas, R. L. Whetten, R. Mitrić, V. Bonačić-Koutecký
    "Oxygen adsorption on hydrated gold cluster anions: Experiment and theory"
    J. Am. Chem. Soc., 125, 8408-8414 (2003)
    http://dx.doi.org/10.1021/ja034905z

    [10] R. Mitrić, C. Bürgel, J. Burda, V. Bonačić-Koutecký, P. Fantucci
    "Structural properties and reactivity of bimetallic silver-gold clusters"
    Eur. Phys. J. D, 24, 41-44 (2003)
    http://dx.doi.org/10.1140/epjd/e2003-00124-7

    [9] S. F. Chekmarev, R. Mitrić, V. Bonacic-Koutecký
    "Kinetics and equilibrium of small metallic clusters: Ab initio confinement molecular dynamics study of Au4"
    Eur. Phys. J. D, 24, 45-48 (2003)
    http://dx.doi.org/10.1140/epjd/e2003-00153-2

    [8] R. Mitrić, M. Hartmann, J. Pittner, V. Bonačić-Koutecký
    "New strategy for optimal control of femtosecond pump-dump processes applicable to systems of moderate complexity"
    Eur. Phys. J. D, 24, 177-180 (2003)
    http://dx.doi.org/10.1140/epjd/e2003-00122-9

    [7] D. R. Justes, A. W. Castleman, R. Mitrić, V. Bonačić-Koutecký
    "V2O5+ reaction with C2H4: Theoretical considerations of experimental findings"
    Eur. Phys. J. D, 24, 331-334 (2003)
    http://dx.doi.org/10.1140/epjd/e2003-00123-8

    [6] D. R. Justes, R. Mitrić, N. A. Moore, V. Bonačić-Koutecký, A. W. Castleman
    "Theoretical and experimental consideration of the reactions betweenVxOy+ and ethylene"
    J. Am. Chem. Soc., 125, 6289-6299 (2003)
    http://dx.doi.org/10.1021/ja021349k

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2002   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [5] R. Mitrić, M. Hartmann, J. Pittner, V. Bonačić-Koutecký
    "New strategy for optimal control of femtosecond pump-dump processes"
    J. Phys. Chem. A, 106, 10477-10481 (2002)
    http://dx.doi.org/10.1021/jp021754y

    [4] V. Bonačić-Koutecký, J. Burda, R. Mitrić, M. F. Ge, G. Zampella, P. Fantucci
    "Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters"
    J. Chem. Phys., 117, 3120-3131 (2002)
    http://dx.doi.org/10.1063/1.1492800

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2001   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    [3] V. Bonačić-Koutecký, V. Veyret, R. Mitrić
    "Ab initio study of the absorption spectra of Agn (n=5-8) clusters"
    J. Chem. Phys., 115, 10450-10460 (2001)
    http://dx.doi.org/10.1063/1.1415077

    [2] R. Mitrić, M. Hartmann, B. Stanca, V. Bonačić-Koutecký, P. Fantucci
    "Ab initio adiabatic dynamics combined with Wigner distribution approach to femtosecond pump-probe negative ion to neutral to positive ion (NeNePo) spectroscopy of Ag2Au, Ag4, and Au4 clusters"
    J. Phys. Chem. A, 105, 8892-8905 (2001)
    http://dx.doi.org/10.1021/jp011759f

    [1] M. Hartmann, R. Mitrić, B. Stanca, V. Bonačić-Koutecký
    "Theoretical investigation of the ultrafast NeNePo spectroscopy of Au4 and Ag4 clusters"
    Eur. Phys. J. D, 16, 151-155 (2001)
    http://dx.doi.org/10.1007/s100530170080

    Nach oben

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