Bačić, Zlatko - 上海纽约大学 - 计算化学联合研究中心

个人简介

Zlatko Bačić received his B.S. from the University of Zagreb and his Ph.D. degree from the University of Utah. He was trained as a Postdoctoral Fellow at the Max-Planck-Institut für Strömungsforschung, Hebrew University of Jerusalem, University of Chicago, and Los Alamos National Laboratory. In recognition of his major contributions to theoretical and computational chemistry, Professor Bačić was elected a Fellow of the American Association for the Advancement of Science in 2011, and a Fellow of the American Physical Society at 2009.

研究领域

Professor Bačić is interested in the research of theoretical and computational chemistry, including quantum treatment of the dynamics and spectroscopy of molecules in nanoporous materials and on solid surfaces, vibrational spectra of fluxional molecular systems of biological interest, and weakly bound molecular clusters

近期论文

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Felker, P. M., Vlček, V., Hietanen, I., Fitzgerald, S., Neuhauser, D., and Bačić, Z. Explaining the symmetry breaking observed in the endofullerenes H2@C60, HF@C60, and H2O@C60. Phys. Chem. Chem. Phys. 19, 31274-31283 (2017) Felker, P. M. and Bačić, Z. Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@ C60 assemblies. Chem. Phys. L. 683, 172–178 (2017) Felker, P. M. and Bačić, Z. Electric-dipole-coupled H2O@C60 dimer: Translation-rotation eigenstates from twelve-dimensional quantum calculations. J. Chem. Phys. 146, 084303 (2017) Cendagorta, J. R., Powers, A., Hele, T. J., Marsalek, O., Bačić, Z., and Tuckerman, M. E. Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates. Phys. Chem. Chem. Phys. 18, 32169-32177 (2016) Felker, P. M. and Bačić, Z. Translation-rotation states of H2 in C60: New insights from a perturbation-theory treatment. J. Chem. Phys. 145, 084310 (2016) Felker, P. M. and Bačić, Z. Communication: Quantum six-dimensional calculations of the coupled translation-rotation eigenstates of H2O@C60. J. Chem. Phys. 144, 201101 (2016) Powers, A., Marsalek, O., Xu, M., Ulivi, L., Colognesi, D., Tuckerman, M. E., and Bačić, Z. Impact of the condensed-phase environment on the translation-rotation eigenstates and spectra of a hydrogen molecule in clathrate hydrates. J. Phys. Chem. Lett. 7, 308–313 (2016)