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Zlatko Bacic

Professor of Chemistry

    1980 …2020

    Research output per year

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    Research Output

    2006

    HF in clusters of molecular hydrogen: II. Quantum solvation by H 2 isotopomers, cluster rigidity, and comparison with CO-doped parahydrogen clusters

    Sebastianelli, F., Elmatad, Y. S., Jiang, H. & Bačić, Z., 2006, In : Journal of Chemical Physics. 125, 16, 164313.

    Research output: Contribution to journalArticle

    Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: Quantum five-dimensional calculations of the coupled translation-rotation eigenstates

    Minzhong, X., Elmatad, Y. S., Sebastianelli, F., Moskowitz, J. W. & Bačić, Z., Dec 14 2006, In : Journal of Physical Chemistry B. 110, 49, p. 24806-24811 6 p.

    Research output: Contribution to journalArticle

    2005

    (HCl)2 and (HF)2 in small helium clusters: Quantum solvation of hydrogen-bonded dimers

    Jiang, H., Sarsa, A., Murdachaew, G., Szalewicz, K. & Bačić, Z., 2005, In : Journal of Chemical Physics. 123, 22, 224313.

    Research output: Contribution to journalArticle

    HF in clusters of molecular hydrogen. I. Size evolution of quantum solvation by parahydrogen molecules

    Jiang, H. & Bačić, Z., 2005, In : Journal of Chemical Physics. 122, 24, 244306.

    Research output: Contribution to journalArticle

    2004

    Ar nHF van der Waals clusters revisited. I. New low-energy isomeric structures for n=6-13

    Xu, M., Jiang, H. & Bačić, Z., Dec 8 2004, In : Journal of Chemical Physics. 121, 22, p. 11045-11052 8 p., 8.

    Research output: Contribution to journalArticle

    Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes

    Murdachaew, G., Szalewicz, K., Jiang, H. & Bačić, Z., Dec 15 2004, In : Journal of Chemical Physics. 121, 23, p. 11839-11855 17 p., 17.

    Research output: Contribution to journalArticle

    2003

    A theoretical study of vibrational mode coupling in H5O + 2

    Dai, J., Bačić, Z., Huang, X., Carter, S. & Bowman, J. M., Oct 1 2003, In : Journal of Chemical Physics. 119, 13, p. 6571-6580 10 p.

    Research output: Contribution to journalArticle

    2002

    Anharmonicity effects on the zero point energies of weakly bound molecular clusters

    Dykstra, C. E., Shuler, K., Young, R. A. & Bacic, Z., 2002, In : Journal of Molecular Structure. 591, THEOCHEM, p. 11-18

    Research output: Contribution to journalArticle

    Anharmonicity effects on zero point energies of weakly bound molecular clusters

    Dykstra, C. E., Shuler, K., Young, R. A. & Baci, Z., Aug 30 2002, In : Journal of Molecular Structure: THEOCHEM. 591, 1-3, p. 11-18 8 p.

    Research output: Contribution to journalArticle

    Clusters containing open-shell molecules: Minimum-energy structures and low-lying isomers of ArnCH (X2Π), n= 1 to 15

    Xu, M., Bačić, Z. & Hutson, J. M., 2002, In : Faraday discussions. 118, 1, p. 405-417 13 p.

    Research output: Contribution to journalArticle

    Clusters containing open-shell molecules. II: Equilibrium structures of ArnOH Van der Waals clusters (X2∏, n = 1 to 15)

    Xu, M., Bačić, Z. & Hutson, J. M., Sep 8 2002, In : Journal of Chemical Physics. 117, 10, p. 4777-4786 10 p.

    Research output: Contribution to journalArticle

    HF dimer in small helium clusters: Interchange-tunneling dynamics in a quantum environment

    Sarsa, A., Bačić, Z., Moskowitz, J. W. & Schmidt, K. E., Mar 25 2002, In : Physical Review Letters. 88, 12, p. 1234011-1234014 4 p., 123401.

    Research output: Contribution to journalArticle

    2001

    Relative stabilities of the two isomers of the methanol-water dimer: The effects of the internal rotations of the hydroxyl and methyl groups of methanol

    Moskowitz, J. W., Bačić, Z., Sarsa, A. & Schmidt, K. E., Jun 15 2001, In : Journal of Chemical Physics. 114, 23, 1 p.

    Research output: Contribution to journalArticle

    2000
    1999

    Calculated and experimental rotational constants of (H2O)3: Effects of intermolecular torsional and symmetric stretching excitations

    Sabo, D., Bačić, Z., Graf, S. & Leutwyler, S., Dec 15 1999, In : Journal of Chemical Physics. 111, 23, p. 10727-10729 3 p.

    Research output: Contribution to journalArticle

    Calculated and experimental rotation constants of (D2O)3: Effects of intermolecular torsional and symmetric stretching excitations

    Sabo, D., Bacic, Z., Graf, S. & Leutwyler, S., 1999, In : Journal of Chemical Physics. 111, p. 5331-5337

    Research output: Contribution to journalArticle

    Nonadditive intermolecular forces in Arn-HF van der Waals clusters: Effects on the HF vibrational frequency shift

    Hutson, J. M., Liu, S., Moskowitz, J. W. & Bačić, Z., Nov 8 1999, In : Journal of Chemical Physics. 111, 18, p. 8378-8383 6 p.

    Research output: Contribution to journalArticle

    Rotational constants of all H/D substituted water trimers: Coupling of intermolecular torsional and symmetric stretching modes

    Sabo, D., Bačić, Z., Graf, S. & Leutwyler, S., Mar 22 1999, In : Journal of Chemical Physics. 110, 12, p. 5745-5757 13 p.

    Research output: Contribution to journalArticle

    Six-dimensional quantum treatment of the vibrations of diatomic adsorbates on solid surfaces: CO on Cu(100)

    Bahel, A. & Bačić, Z., Dec 22 1999, In : Journal of Chemical Physics. 111, 24, p. 11164-11176 13 p.

    Research output: Contribution to journalArticle

    Structures, vibrational frequency shifts and photodissociation dynamics of ArnHF clusters

    Bacic, Z., 1999, Theory of atomic and molecular clusters. Jellinek, J. (ed.). Berlin: Springer , p. 54-85

    Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

    1998

    Advances in molecular vibrations and collision dynamics, volume III

    Bowman, J. M. (ed.) & Bacic, Z. (ed.), 1998, Greenwich, CT: JAI Press Inc.

    Research output: Book/ReportBook

    Four-dimensional model calculation of torsional levels of cyclic water tetramer

    Sabo, D., Bačić, Z., Graf, S. & Leutwyler, S., 1998, In : Journal of Chemical Physics. 109, 13, p. 5404-5419 16 p.

    Research output: Contribution to journalArticle

    Vibration-rotation-tunneling dynamics of (HF)2 and (HCI)from full dimensional quantum bound state calculations

    Bacic, Z. & Qui, Y., 1998, Advances in molecular vibrations and collision dynamics, volume III. Bowman, J. M. & Bacic, Z. (eds.). Greenwhich, Connecticut: JAI Press, Vol. III. p. 183-204

    Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

    1997

    Exact six-dimensional quantum calculations of the rovibrational levels of (HCl)2

    Qiu, Y. & Bačić, Z., Feb 8 1997, In : Journal of Chemical Physics. 106, 6, p. 2158-2170 13 p.

    Research output: Contribution to journalArticle

    Very large amplitude intermolecular vibrations and wave function delocalization in 2,3-dimethylnaphthalene · He van der Waals complex

    Bach, A., Leutwyler, S., Sabo, D. & Bačić, Z., Dec 1 1997, In : Journal of Chemical Physics. 107, 21, p. 8781-8793 13 p.

    Research output: Contribution to journalArticle

    1996

    ArnHF (n = 1-4) van der Waals clusters: A quantum Monte Carlo study of ground state energies, structures and HF vibrational frequency shifts

    Niyaz, P., Bačić, Z., Moskowitz, J. W. & Schmidt, K. E., Apr 5 1996, In : Chemical Physics Letters. 252, 1-2, p. 23-32 10 p.

    Research output: Contribution to journalArticle

    Molecular clusters: Structure and dynamics of weakly bound systems

    Bačić, Z. & Miller, R. E., Aug 1 1996, In : Journal of physical chemistry. 100, 31, p. 12945-12959 15 p.

    Research output: Contribution to journalArticle

    Photodissociation of HF in ArnHF (n=1-14,54)

    Schroder, T., Schinke, R., Liu, S., Bacic, Z. & Moskowitz, W., 1996, Femtochemistry . Chergui, M. (ed.). Singapore: World Scientific, p. 277-280

    Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

    Three-dimensional model treatment of the torsional levels of isotopic water trimers

    Sabo, D., Bačić, Z., Graf, S. & Leutwyler, S., Oct 18 1996, In : Chemical Physics Letters. 261, 3, p. 318-328 11 p.

    Research output: Contribution to journalArticle

    1995

    Bound states of strongly coupled multidemensional molecular Hamiltonians by discrete variable representation approach

    Bacic, Z., 1995, Domain-based parallelism and problem decomposition methods in computational science and engineering. Keyes, D. E., Saad, Y. & Truhlar, D. G. (eds.). Philadelphia: SIAM, p. 263-277

    Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

    Exact full-dimensional bound state calculations for (HF)2, (DF)2, and HFDF

    Zhang, D. H., Wu, Q., Zhang, J. Z. H., Von Dirke, M. & Bačić, Z., 1995, In : The Journal of Chemical Physics. 102, 6, p. 2315-2325 11 p.

    Research output: Contribution to journalArticle

    Isomer dependence of HF vibrational frequency shift for ArnHF (n=4-14) van der Waals clusters: Quantum five-dimensional bound state calculations

    Liu, S., Bačić, Z., Moskowitz, J. W. & Schmidt, K. E., 1995, In : The Journal of Chemical Physics. 103, 5, p. 1829-1841 13 p.

    Research output: Contribution to journalArticle

    Photodissociation of HF in ArnHF (n=1-14,54) van der Waals clusters: Effects of the solvent cluster size on the solute fragmentation dynamics

    Schröder, T., Schinke, R., Liu, S., Bačić, Z. & Moskowitz, J. W., 1995, In : The Journal of Chemical Physics. 103, 21, p. 9228-9241 14 p.

    Research output: Contribution to journalArticle

    Resonances in the UV photodissociation of the Ar...HCl van der Waals complex? An exact quantum 3D wave packet study

    Schröder, T., Schinke, R. & Bačić, Z., Mar 24 1995, In : Chemical Physics Letters. 235, 3-4, p. 316-320 5 p.

    Research output: Contribution to journalArticle

    Spectroscopy and quantum dynamics of the 1,2-dimethylnaphthalene·Ar van der Waals complex

    Droz, T., Leutwyler, S., Mandziuk, M. & Bačić, Z., 1995, In : The Journal of Chemical Physics. 102, 12, p. 4715-4725 11 p.

    Research output: Contribution to journalArticle

    Three-dimensional model calculation of torsional levels of (H2O)3 and (D2O)3

    Sabo, D., Bačić, Z., Bürgi, T. & Leutwyler, S., Oct 6 1995, In : Chemical Physics Letters. 244, 3-4, p. 283-294 12 p.

    Research output: Contribution to journalArticle

    Van der Waals vibrations and isomers of 2,3-dimethylnaphthalene·Ne: Experiment and quantum three-dimensional calculations

    Droz, T., Leutwyler, S., Mandziuk, M. & Bačić, Z., 1995, In : The Journal of Chemical Physics. 103, 12, p. 4855-4868 14 p.

    Research output: Contribution to journalArticle

    1994

    ArnH2O (n=1-14) van der Waals clusters: Size evolution of equilibrium structures

    Liu, S., Bačić, Z., Moskowitz, J. W. & Schmidt, K. E., 1994, In : The Journal of Chemical Physics. 101, 10, p. 8310-8320 11 p.

    Research output: Contribution to journalArticle

    Equilibrium structures and approximate HF vibrational red shifts for ArnHF (n=1-14) van der Waals clusters

    Liu, S., Bačić, Z., Moskowitz, J. W. & Schmidt, K. E., 1994, In : The Journal of Chemical Physics. 100, 10, p. 7166-7181 16 p.

    Research output: Contribution to journalArticle

    HF vibrational red shift for the icosahedral Ar12HF van der Waals cluster is the same as in an Ar matrix: Quantum five-dimensional bound state calculations

    Liu, S., Bačić, Z., Moskowitz, J. W. & Schmidt, K. E., 1994, In : The Journal of Chemical Physics. 101, 7, p. 6359-6361 3 p.

    Research output: Contribution to journalArticle

    Intermolecular vibrations of o-xylene·Ar in the S0 and S1 states: Experiment and quantum three dimensional calculations

    Droz, T., Leutwyler, S., Mandziuk, M. & Bačić, Z., 1994, In : The Journal of Chemical Physics. 101, 8, p. 6412-6423 12 p.

    Research output: Contribution to journalArticle

    Intermolecular vibrations of the 2,3-dimethylnaphthalene · Ar van der Waals complex: Experiment and quantum three-dimensional calculations

    Mandziuk, M., Bačić, Z., Droz, T. & Leutwyler, S., 1994, In : The Journal of Chemical Physics. 100, 1, p. 52-62 11 p.

    Research output: Contribution to journalArticle

    Resonances in the photodissociation of HCl in the Ar-HCl van der Waals complex: How prominent are they?

    Schröder, T., Schinke, R., Mandziuk, M. & Bačić, Z., 1994, In : The Journal of Chemical Physics. 100, 10, p. 7239-7249 11 p.

    Research output: Contribution to journalArticle