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Zlatko Bacic

Professor of Chemistry

    1980 …2020

    Research output per year

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    Research Output

    (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

    Absorption spectra for collinear (nonreactive) H3: Comparison between quantal and classical calculations

    Engel, V., Bacic, Z., Schinke, R. & Shapiro, M., 1985, In : The Journal of Chemical Physics. 82, 11, p. 4844-4849 6 p.

    Research output: Contribution to journalArticle

    Accurate localized and delocalized vibrational states of HCN/HNC

    Baĉić, Z. & Light, J. C., 1987, In : The Journal of Chemical Physics. 86, 6, p. 3065-3077 13 p.

    Research output: Contribution to journalArticle

    Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

    Felker, P. M. & Bačić, Z., Sep 1 2017, In : Chemical Physics Letters. 683, p. 172-178 7 p.

    Research output: Contribution to journalArticle

    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

    Analysis of rotationally inelastic molecule-surface collisions: A two-dimensional treatment

    Baçic, Z. & Bosanac, S. D., 1984, In : Physical Review A. 30, 6, p. 2998-3004 7 p.

    Research output: Contribution to journalArticle

    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

    Application of the coordinate rotation method to metastable atom‐diatom scattering resonances

    Bačić, Z. & Simons, J., 1980, In : International Journal of Quantum Chemistry. 18, 14 S, p. 467-475 9 p.

    Research output: Contribution to journalArticle

    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

    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

    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

    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

    A time-dependent calculation for vibrational predissociation of H 2HF

    Zhang, D. H., Zhang, J. Z. H. & Bačić, Z., 1992, In : The Journal of Chemical Physics. 97, 5, p. 3149-3156 8 p.

    Research output: Contribution to journalArticle

    A time-dependent golden rule wave packet calculation for vibrational predissociation of D2HF

    Zhang, D. H., Zhang, J. Z. H. & Bačić, Z., 1992, In : The Journal of Chemical Physics. 97, 2, p. 927-934 8 p.

    Research output: Contribution to journalArticle

    A variational localized representation calculation of the vibrational levels of the water molecule up to 27 000 cm-1

    Bačić, Z., Watt, D. & Light, J. C., 1988, In : The Journal of Chemical Physics. 89, 2, p. 947-955 9 p.

    Research output: Contribution to journalArticle

    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)

    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

    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

    Coalescent resonances in 4He/LiF(001) surface scattering

    Bačić, Z. & Bosanac, S. D., 1985, In : The Journal of Chemical Physics. 83, 4, p. 1933-1938 6 p.

    Research output: Contribution to journalArticle

    Communication: Quantum six-dimensional calculations of the coupled translation-rotation eigenstates of H2O@C60

    Felker, P. M. & Bačić, Z., May 28 2016, In : Journal of Chemical Physics. 144, 20, 201101.

    Research output: Contribution to journalArticle

    Complex coordinate rotation calculation of branching ratios

    Bačić, Z. & Simons, J., Apr 1982, In : International Journal of Quantum Chemistry. 21, 4, p. 727-739 13 p.

    Research output: Contribution to journalArticle

    Confirming a Predicted Selection Rule in Inelastic Neutron Scattering Spectroscopy: The Quantum Translator-Rotator H2 Entrapped Inside C60

    Xu, M., Jiménez-Ruiz, M., Johnson, M. R., Rols, S., Ye, S., Carravetta, M., Denning, M. S., Lei, X., Bačić, Z. & Horsewill, A. J., Sep 17 2014, In : Physical Review Letters. 113, 12, 123001.

    Research output: Contribution to journalArticle

    Dissociation dynamics of mass-asymmetric molecules in impact on solid surfaces

    Bačić, Z. & Gerber, R. B., 1986, In : Journal of physical chemistry. 90, 13, p. 2917-2922 6 p.

    Research output: Contribution to journalArticle

    Effect of multiple collisions on the rotational distribution in molecule-surface scattering

    Bačić, Z. & Bosanac, S. D., Jan 13 1984, In : Chemical Physics Letters. 103, 5, p. 378-382 5 p.

    Research output: Contribution to journalArticle

    Effects of symmetry breaking on the translation-rotation eigenstates of H2, HF, and H2O inside the fullerene C60

    Bačić, Z., Vlček, V., Neuhauser, D. & Felker, P. M., 2018, In : Faraday discussions. 212, p. 547-567 21 p.

    Research output: Contribution to journalArticle

    Efficient calculation of free energy differences associated with isotopic substitution using path-integral molecular dynamics

    Marsalek, O., Chen, P. Y., Dupuis, R., Benoit, M., Méheut, M., Bačić, Z. & Tuckerman, M. E., Apr 8 2014, In : Journal of chemical theory and computation. 10, 4, p. 1440-1453 14 p.

    Research output: Contribution to journalArticle

    Electric-dipole-coupled H2O@C60 dimer: Translation-rotation eigenstates from twelve-dimensional quantum calculations

    Felker, P. M. & Bačić, Z., Feb 28 2017, In : Journal of Chemical Physics. 146, 8, 084303.

    Research output: Contribution to journalArticle

    Energy transfer in ammonia-dimer-helium collisions

    Bačić, Z., Buck, U., Meyer, H. & Schinke, R., Mar 21 1986, In : Chemical Physics Letters. 125, 1, p. 47-52 6 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

    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

    Exact quantum results for reactive scattering using hyperspherical (APH) coordinates

    Parker, G. A., Pack, R. T., Laganà, A., Archer, J. D., Kress, J. D. & Bacic, Z., 1989, Proceedings of the NATO Advanced Research Workshop on Supercomputer Algorithms for Reactivity, Dynamics, and Kinetics of Small Molecules. Lagana, A. (ed.). Kluwer, Dordrecht, p. 105-129 (NATO ASI Series C ; vol. 277).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    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

    Experimental inelastic neutron scattering spectrum of hydrogen hexagonal clathrate-hydrate compared with rigorous quantum simulations

    Celli, M., Powers, A., Colognesi, D., Xu, M., Bačić, Z. & Ulivi, L., Oct 28 2013, In : Journal of Chemical Physics. 139, 16, 164507.

    Research output: Contribution to journalArticle

    Explaining the symmetry breaking observed in the endofullerenes H2@C60, HF@C60, and H2O@C60

    Felker, P. M., Vlček, V., Hietanen, I., Fitzgerald, S., Neuhauser, D. & Bačić, Z., 2017, In : Physical Chemistry Chemical Physics. 19, 46, p. 31274-31283 10 p.

    Research output: Contribution to journalArticle

    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