| Year |
Citation |
Score |
| 2023 |
Vindel-Zandbergen P, Kȩdziera D, Żółtowski M, Kłos J, Żuchowski P, Felker PM, Lique F, Bačić Z. H2O-HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations. The Journal of Chemical Physics. 159. PMID 37909452 DOI: 10.1063/5.0173751 |
0.411 |
|
| 2023 |
Felker PM, Bačić Z. HF trimer: 12D fully coupled quantum calculations of HF-stretch excited intramolecular and intermolecular vibrational states using contracted bases of intramolecular and intermolecular eigenstates. The Journal of Chemical Physics. 158. PMID 37338029 DOI: 10.1063/5.0156976 |
0.409 |
|
| 2022 |
Felker PM, Bačić Z. Erratum: "Intermolecular vibrational states of HF trimer from rigorous nine-dimensional quantum calculations: Strong coupling between intermolecular bending and stretching vibrations and the importance of the three-body interactions" [J. Chem. Phys. 157, 194103 (2022)]. The Journal of Chemical Physics. 157: 239902. PMID 36550034 DOI: 10.1063/5.0137134 |
0.378 |
|
| 2022 |
Felker PM, Bačić Z. Intermolecular vibrational states of HF trimer from rigorous nine-dimensional quantum calculations: Strong coupling between intermolecular bending and stretching vibrations and the importance of the three-body interactions. The Journal of Chemical Physics. 157: 194103. PMID 36414444 DOI: 10.1063/5.0128550 |
0.424 |
|
| 2022 |
Felker PM, Bačić Z. Noncovalently bound molecular complexes beyond diatom-diatom systems: full-dimensional, fully coupled quantum calculations of rovibrational states. Physical Chemistry Chemical Physics : Pccp. 24: 24655-24676. PMID 36214258 DOI: 10.1039/d2cp04005k |
0.363 |
|
| 2022 |
Xu M, Felker PM, Bačić Z. HO inside the fullerene C: Inelastic neutron scattering spectrum from rigorous quantum calculations. The Journal of Chemical Physics. 156: 124101. PMID 35364860 DOI: 10.1063/5.0086842 |
0.763 |
|
| 2022 |
Felker PM, Bačić Z. Intermolecular rovibrational states of the HO-CO and DO-CO van der Waals complexes. The Journal of Chemical Physics. 156: 064301. PMID 35168331 DOI: 10.1063/5.0083754 |
0.399 |
|
| 2021 |
Felker PM, Liu Y, Li J, Bačić Z. DCl-HO, HCl-DO, and DCl-DO Dimers: Inter- and Intramolecular Vibrational States and Frequency Shifts from Fully Coupled Quantum Calculations on a Full-Dimensional Neural Network Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 34261318 DOI: 10.1021/acs.jpca.1c04662 |
0.416 |
|
| 2021 |
Liu Y, Li J, Felker PM, Bačić Z. HCl-HO dimer: an accurate full-dimensional potential energy surface and fully coupled quantum calculations of intra- and intermolecular vibrational states and frequency shifts. Physical Chemistry Chemical Physics : Pccp. 23: 7101-7114. PMID 33876076 DOI: 10.1039/d1cp00865j |
0.44 |
|
| 2021 |
Felker PM, Bačić Z. HDO-CO Complex: D-Bonded and H-Bonded Isomers and Intra- and Intermolecular Rovibrational States from Full-Dimensional and Fully Coupled Quantum Calculations. The Journal of Physical Chemistry. A. PMID 33476513 DOI: 10.1021/acs.jpca.0c10320 |
0.426 |
|
| 2020 |
Felker PM, Bačić Z. HO-CO and DO-CO complexes: Intra- and intermolecular rovibrational states from full-dimensional and fully coupled quantum calculations. The Journal of Chemical Physics. 153: 074107. PMID 32828109 DOI: 10.1063/5.0020566 |
0.511 |
|
| 2020 |
Felker PM, Bačić Z. Benzene-HO and benzene-HDO: Fully coupled nine-dimensional quantum calculations of flexible HO/HDO intramolecular vibrational excitations and intermolecular states of the dimers, and their infrared and Raman spectra using compact bases. The Journal of Chemical Physics. 152: 124103. PMID 32241119 DOI: 10.1063/5.0002515 |
0.531 |
|
| 2020 |
Felker PM, Bačić Z. Flexible water molecule in C: Intramolecular vibrational frequencies and translation-rotation eigenstates from fully coupled nine-dimensional quantum calculations with small basis sets. The Journal of Chemical Physics. 152: 014108. PMID 31914751 DOI: 10.1063/1.5138992 |
0.535 |
|
| 2020 |
Xu M, Felker PM, Bačić Z. Light molecules inside the nanocavities of fullerenes and clathrate hydrates: inelastic neutron scattering spectra and the unexpected selection rule from rigorous quantum simulations International Reviews in Physical Chemistry. 39: 425-463. DOI: 10.1080/0144235X.2020.1794097 |
0.756 |
|
| 2019 |
Felker PM, Lauvergnat D, Scribano Y, Benoit DM, Bačić Z. Intramolecular stretching vibrational states and frequency shifts of (H) confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets. The Journal of Chemical Physics. 151: 124311. PMID 31575159 DOI: 10.1063/1.5124051 |
0.526 |
|
| 2019 |
Xu M, Felker PM, Mamone S, Horsewill AJ, Rols S, Whitby RJ, Bacic Z. The Endofullerene HF@C: Inelastic Neutron Scattering Spectra from Quantum Simulations and Experiment, Validity of the Selection Rule and Symmetry Breaking. The Journal of Physical Chemistry Letters. PMID 31454486 DOI: 10.1021/Acs.Jpclett.9B02005 |
0.763 |
|
| 2019 |
Felker PM, Bačić Z. Weakly bound molecular dimers: Intramolecular vibrational fundamentals, overtones, and tunneling splittings from full-dimensional quantum calculations using compact contracted bases of intramolecular and low-energy rigid-monomer intermolecular eigenstates. The Journal of Chemical Physics. 151: 024305. PMID 31301718 DOI: 10.1063/1.5111131 |
0.483 |
|
| 2019 |
Lauvergnat D, Felker P, Scribano Y, Benoit DM, Bačić Z. H, HD, and D in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates. The Journal of Chemical Physics. 150: 154303. PMID 31005099 DOI: 10.1063/1.5090573 |
0.576 |
|
| 2018 |
Bacic Z, Benoit D, Biczysko M, Bowman J, Bradforth S, Burd T, Chambaud G, Clary D, Crépin C, Dracinsky M, Felker P, Fischer I, Gianturco F, Hochlaf M, Kouril K, et al. Molecules in confinement in clusters, quantum solvents and matrices: general discussion. Faraday Discussions. PMID 30520925 DOI: 10.1039/C8Fd90053A |
0.405 |
|
| 2018 |
Bacic Z, Benoit D, Besemer M, Bowman J, Bradforth S, Clary D, Donovan R, Fischer I, Gianturco F, Hochlaf M, Houston P, Knowles P, Leone S, Linguerri R, Manthe U, et al. Precise characterisation of isolated molecules: general discussion. Faraday Discussions. PMID 30507986 DOI: 10.1039/C8Fd90050G |
0.303 |
|
| 2018 |
Bačić Z, Vlček V, Neuhauser D, Felker PM. Effects of symmetry breaking on the translation-rotation eigenstates of H, HF, and HO inside the fullerene C. Faraday Discussions. PMID 30226507 DOI: 10.1039/C8Fd00082D |
0.488 |
|
| 2018 |
Bačić Z. Perspective: Accurate treatment of the quantum dynamics of light molecules inside fullerene cages: Translation-rotation states, spectroscopy, and symmetry breaking. The Journal of Chemical Physics. 149: 100901. PMID 30219006 DOI: 10.1063/1.5049358 |
0.515 |
|
| 2018 |
Powers A, Scribano Y, Lauvergnat D, Mebe E, Benoit DM, Bačić Z. The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates. The Journal of Chemical Physics. 148: 144304. PMID 29655345 DOI: 10.1063/1.5024884 |
0.52 |
|
| 2018 |
Cendagorta JR, Bačić Z, Tuckerman ME. An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions. The Journal of Chemical Physics. 148: 102340. PMID 29544313 DOI: 10.1063/1.5005543 |
0.337 |
|
| 2017 |
Felker PM, Vlček V, Hietanen I, FitzGerald S, Neuhauser D, Bačić Z. Explaining the symmetry breaking observed in the endofullerenes H2@C60, HF@C60, and H2O@C60. Physical Chemistry Chemical Physics : Pccp. PMID 29148552 DOI: 10.1039/C7Cp06062A |
0.403 |
|
| 2017 |
Felker PM, Bačić Z. Electric-dipole-coupled H2O@C60 dimer: Translation-rotation eigenstates from twelve-dimensional quantum calculations. The Journal of Chemical Physics. 146: 084303. PMID 28249422 DOI: 10.1063/1.4976526 |
0.449 |
|
| 2017 |
Felker PM, Bačić Z. Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies Chemical Physics Letters. 683: 172-178. DOI: 10.1016/J.Cplett.2017.02.027 |
0.45 |
|
| 2016 |
Cendagorta JR, Powers A, Hele TJ, Marsalek O, Bačić Z, Tuckerman ME. Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates. Physical Chemistry Chemical Physics : Pccp. PMID 27849073 DOI: 10.1039/C6Cp05968F |
0.442 |
|
| 2016 |
Felker PM, Bačić Z. Translation-rotation states of H2 in C60: New insights from a perturbation-theory treatment. The Journal of Chemical Physics. 145: 084310. PMID 27586925 DOI: 10.1063/1.4961650 |
0.437 |
|
| 2016 |
Felker PM, Bačić Z. Communication: Quantum six-dimensional calculations of the coupled translation-rotation eigenstates of H2O@C60. The Journal of Chemical Physics. 144: 201101. PMID 27250272 DOI: 10.1063/1.4953180 |
0.497 |
|
| 2016 |
Powers A, Marsalek O, Xu M, Ulivi L, Colognesi D, Tuckerman ME, Bacic Z. Impact of the Condensed-Phase Environment on the Translation-Rotation Eigenstates and Spectra of a Hydrogen Molecule in Clathrate Hydrates. The Journal of Physical Chemistry Letters. PMID 26727217 DOI: 10.1021/Acs.Jpclett.5B02611 |
0.759 |
|
| 2015 |
Xu M, Ye S, Bačić Z. General Selection Rule in the Inelastic Neutron Scattering Spectroscopy of a Diatomic Molecule Confined Inside a Near-Spherical Nanocavity. The Journal of Physical Chemistry Letters. 6: 3721-5. PMID 26722746 DOI: 10.1021/Acs.Jpclett.5B01505 |
0.744 |
|
| 2014 |
Marsalek O, Chen PY, Dupuis R, Benoit M, Méheut M, Bačić Z, Tuckerman ME. Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics. Journal of Chemical Theory and Computation. 10: 1440-53. PMID 26580362 DOI: 10.1021/Ct400911M |
0.308 |
|
| 2013 |
Xu M, Ye S, Powers A, Lawler R, Turro NJ, Bačić Z. Inelastic neutron scattering spectrum of H2@C60 and its temperature dependence decoded using rigorous quantum calculations and a new selection rule. The Journal of Chemical Physics. 139: 064309. PMID 23947857 DOI: 10.1063/1.4817534 |
0.781 |
|
| 2013 |
Rõõm T, Peedu L, Ge M, Hüvonen D, Nagel U, Ye S, Xu M, Bačić Z, Mamone S, Levitt MH, Carravetta M, Chen JY, Lei X, Turro NJ, Murata Y, et al. Infrared spectroscopy of small-molecule endofullerenes. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 371: 20110631. PMID 23918713 DOI: 10.1098/Rsta.2011.0631 |
0.762 |
|
| 2013 |
Xu M, Ye S, Lawler R, Turro NJ, Bačić Z. HD in C₆₀: theoretical prediction of the inelastic neutron scattering spectrum and its temperature dependence. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 371: 20110630. PMID 23918712 DOI: 10.1098/Rsta.2011.0630 |
0.748 |
|
| 2013 |
Colognesi D, Celli M, Ulivi L, Xu M, Bačić Z. Neutron scattering measurements and computation of the quantum dynamics of hydrogen molecules trapped in the small and large cages of clathrate hydrates. The Journal of Physical Chemistry. A. 117: 7314-26. PMID 23514207 DOI: 10.1021/Jp4011845 |
0.776 |
|
| 2013 |
Xu M, Ulivi L, Celli M, Colognesi D, Bačić Z. Rigorous quantum treatment of inelastic neutron scattering spectra of a heteronuclear diatomic molecule in a nanocavity: HD in the small cage of structure II clathrate hydrate Chemical Physics Letters. 563: 1-8. DOI: 10.1016/J.Cplett.2013.01.013 |
0.78 |
|
| 2011 |
Xu M, Bačić Z. Inelastic neutron scattering spectra of a hydrogen molecule in a nanocavity: Methodology for quantum calculations incorporating the coupled five-dimensional translation-rotation eigenstates Physical Review B. 84. DOI: 10.1103/Physrevb.84.195445 |
0.77 |
|
| 2011 |
Xu M, Ulivi L, Celli M, Colognesi D, Bačić Z. Quantum calculation of inelastic neutron scattering spectra of a hydrogen molecule inside a nanoscale cavity based on rigorous treatment of the coupled translation-rotation dynamics Physical Review B. 83. DOI: 10.1103/Physrevb.83.241403 |
0.766 |
|
| 2010 |
Ye S, Xu M, Bacić Z, Lawler R, Turro NJ. Quantum dynamics of a hydrogen molecule inside an anisotropic open-cage fullerene: coupled translation-rotation eigenstates and comparison with inelastic neutron scattering spectroscopy. The Journal of Physical Chemistry. A. 114: 9936-47. PMID 20825244 DOI: 10.1021/Jp104367J |
0.804 |
|
| 2010 |
Sebastianelli F, Xu M, Bacić Z, Lawler R, Turro NJ. Hydrogen molecules inside fullerene C70: quantum dynamics, energetics, maximum occupancy, and comparison with C60. Journal of the American Chemical Society. 132: 9826-32. PMID 20583809 DOI: 10.1021/Ja103062G |
0.757 |
|
| 2010 |
Witt A, Sebastianelli F, Tuckerman ME, Bačić Z. Path Integral Molecular Dynamics Study of Small H2 Clusters in the Large Cage of Structure II Clathrate Hydrate: Temperature Dependence of Quantum Spatial Distributions The Journal of Physical Chemistry C. 114: 20775-20782. DOI: 10.1021/Jp107021T |
0.425 |
|
| 2009 |
Xu M, Sebastianelli F, Bacić Z. Coupled translation-rotation eigenstates of H2, HD, and D2 in the large cage of structure II clathrate hydrate: comparison with the small cage and rotational Raman spectroscopy. The Journal of Physical Chemistry. A. 113: 7601-9. PMID 19552479 DOI: 10.1021/Jp901951K |
0.789 |
|
| 2009 |
Xu M, Sebastianelli F, Gibbons BR, Bacić Z, Lawler R, Turro NJ. Coupled translation-rotation eigenstates of H(2) in C(60) and C(70) on the spectroscopically optimized interaction potential: Effects of cage anisotropy on the energy level structure and assignments. The Journal of Chemical Physics. 130: 224306. PMID 19530767 DOI: 10.1063/1.3152574 |
0.758 |
|
| 2009 |
Gibbons BR, Xu M, Bacić Z. Quantum dynamics of the vibrations of helium bound to the nanosurface of a large planar organic molecule: phthalocyanine . He van der Waals complex. The Journal of Physical Chemistry. A. 113: 3789-98. PMID 19143496 DOI: 10.1021/Jp809410S |
0.774 |
|
| 2009 |
Bačić Z, Simons J. Application of the coordinate rotation method to metastable atom-diatom scattering resonances International Journal of Quantum Chemistry. 18: 467-475. DOI: 10.1002/Qua.560180849 |
0.36 |
|
| 2008 |
Sebastianelli F, Xu M, Bacić Z. Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: energetics, occupancy, and vibrationally averaged cluster structures. The Journal of Chemical Physics. 129: 244706. PMID 19123525 DOI: 10.1063/1.3049781 |
0.764 |
|
| 2008 |
Xu M, Sebastianelli F, Bacić Z, Lawler R, Turro NJ. H2, HD, and D2 inside C60: coupled translation-rotation eigenstates of the endohedral molecules from quantum five-dimensional calculations. The Journal of Chemical Physics. 129: 064313. PMID 18715075 DOI: 10.1063/1.2967858 |
0.784 |
|
| 2008 |
Xu M, Sebastianelli F, Bacić Z. Quantum dynamics of H2, D2, and HD in the small dodecahedral cage of clathrate hydrate: evaluating H2-water nanocage interaction potentials by comparison of theory with inelastic neutron scattering experiments. The Journal of Chemical Physics. 128: 244715. PMID 18601373 DOI: 10.1063/1.2945895 |
0.772 |
|
| 2008 |
Xu M, Sebastianelli F, Bacić Z, Lawler R, Turro NJ. Quantum dynamics of coupled translational and rotational motions of H2 inside C60. The Journal of Chemical Physics. 128: 011101. PMID 18190178 DOI: 10.1063/1.2828556 |
0.767 |
|
| 2007 |
Xu M, Sebastianelli F, Bacić Z. Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: quantum translation-rotation dynamics at higher excitation energies. The Journal of Physical Chemistry. A. 111: 12763-71. PMID 17973467 DOI: 10.1021/Jp076296D |
0.791 |
|
| 2007 |
Sebastianelli F, Xu M, Kanan DK, Bacić Z. One and two hydrogen molecules in the large cage of the structure II clathrate hydrate: quantum translation-rotation dynamics close to the cage wall. The Journal of Physical Chemistry. A. 111: 6115-21. PMID 17583332 DOI: 10.1021/Jp073259D |
0.786 |
|
| 2007 |
Xu M, Bacić Z. Wave function delocalization and large-amplitude vibrations of helium on corrugated aromatic microsurfaces: tetracene.He and pentacene.He van der Waals complexes. The Journal of Physical Chemistry. A. 111: 7653-63. PMID 17530836 DOI: 10.1021/Jp072218E |
0.75 |
|
| 2007 |
Sebastianelli F, Xu M, Elmatad YS, Moskowitz JW, Bačić Z. Hydrogen molecules in the small dodecahedral cage of a clathrate hydrate: Quantum translation-rotation dynamics of the confined molecules Journal of Physical Chemistry C. 111: 2497-2504. DOI: 10.1021/Jp067318J |
0.776 |
|
| 2006 |
Sebastianelli F, Elmatad YS, Jiang H, Bacić Z. HF in clusters of molecular hydrogen: II. Quantum solvation by H2 isotopomers, cluster rigidity, and comparison with CO-doped parahydrogen clusters. The Journal of Chemical Physics. 125: 164313. PMID 17092079 DOI: 10.1063/1.2363989 |
0.416 |
|
| 2005 |
Jiang H, Sarsa A, Murdachaew G, Szalewicz K, Bacić Z. (HCl)2 and (HF)2 in small helium clusters: quantum solvation of hydrogen-bonded dimers. The Journal of Chemical Physics. 123: 224313. PMID 16375482 DOI: 10.1063/1.2136358 |
0.364 |
|
| 2005 |
Jiang H, Xu M, Hutson JM, Bacić Z. Ar(n)HF van der Waals clusters revisited: II. Energetics and HF vibrational frequency shifts from diffusion Monte Carlo calculations on additive and nonadditive potential-energy surfaces for n=1-12. The Journal of Chemical Physics. 123: 054305. PMID 16108637 DOI: 10.1063/1.1991856 |
0.737 |
|
| 2005 |
Jiang H, Bacić Z. HF in clusters of molecular hydrogen. I. Size evolution of quantum solvation by parahydrogen molecules. The Journal of Chemical Physics. 122: 244306. PMID 16035756 DOI: 10.1063/1.1927528 |
0.451 |
|
| 2004 |
Murdachaew G, Szalewicz K, Jiang H, Bacić Z. Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes. The Journal of Chemical Physics. 121: 11839-55. PMID 15634146 DOI: 10.1063/1.1809604 |
0.476 |
|
| 2004 |
Xu M, Jiang H, Bacić Z. Ar n HF van der Waals clusters revisited. I. New low-energy isomeric structures for n=6-13. The Journal of Chemical Physics. 121: 11045-52. PMID 15634055 DOI: 10.1063/1.1811612 |
0.692 |
|
| 2003 |
Dai J, Bačić Z, Huang X, Carter S, Bowman JM. A theoretical study of vibrational mode coupling in H5O2+ The Journal of Chemical Physics. 119: 6571-6580. DOI: 10.1063/1.1603220 |
0.789 |
|
| 2002 |
Xu M, Bačić Z, Hutson JM. Clusters containing open-shell molecules. III. Quantum five-dimensional/two-surface bound-state calculations on ArnOH van der Waals clusters (X2Π, n=4 to 12) The Journal of Chemical Physics. 117: 4787-4799. DOI: 10.1063/1.1497967 |
0.756 |
|
| 2002 |
Xu M, Bačić Z, Hutson JM. Clusters containing open-shell molecules. II. Equilibrium structures of ArnOH Van der Waals clusters (X2Π, n=1 to 15) The Journal of Chemical Physics. 117: 4777-4786. DOI: 10.1063/1.1497966 |
0.708 |
|
| 2002 |
Bačić Z. Reduced-dimensionality quantum bound state treatment of hydrogen-bonded clusters: torsional vibrational manifold of the water trimer Computer Physics Communications. 145: 184-193. DOI: 10.1016/S0010-4655(02)00153-4 |
0.509 |
|
| 2001 |
Xu M, Bacić Z, Hutson JM. Clusters containing open-shell molecules: minimum-energy structures and low-lying isomers of ArnCH (X 2 pi), n = 1 to 15. Faraday Discussions. 405-17; discussion 4. PMID 11605278 DOI: 10.1039/B010079J |
0.702 |
|
| 2001 |
Moskowitz JW, Bačić Z, Sarsa A, Schmidt KE. 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 Journal of Chemical Physics. 114: 10294. DOI: 10.1063/1.1373694 |
0.371 |
|
| 2000 |
Bačić Z. Fully coupled six-dimensional calculations of rovibrational eigenstates of floppy four-atom molecules Computer Physics Communications. 128: 46-54. DOI: 10.1016/S0010-4655(99)00517-2 |
0.493 |
|
| 1999 |
Bahel A, Bačić Z. Six-dimensional quantum treatment of the vibrations of diatomic adsorbates on solid surfaces: CO on Cu(100) The Journal of Chemical Physics. 111: 11164-11176. DOI: 10.1063/1.480494 |
0.465 |
|
| 1999 |
Sabo D, Bačić Z, Graf S, Leutwyler S. Calculated and experimental rotational constants of (H2O)3: Effects of intermolecular torsional and symmetric stretching excitations Journal of Chemical Physics. 111: 10727-10729. DOI: 10.1063/1.480427 |
0.451 |
|
| 1999 |
Hutson JM, Liu S, Moskowitz JW, Bačić Z. Nonadditive intermolecular forces in Arn–HF van der Waals clusters: Effects on the HF vibrational frequency shift The Journal of Chemical Physics. 111: 8378-8383. DOI: 10.1063/1.480179 |
0.386 |
|
| 1999 |
Sabo D, Bačić Z, Graf S, Leutwyler S. Rotational constants of all H/D substituted water trimers: Coupling of intermolecular torsional and symmetric stretching modes Journal of Chemical Physics. 110: 5745-5757. DOI: 10.1063/1.478473 |
0.489 |
|
| 1998 |
Sabo D, Bačić Z, Graf S, Leutwyler S. Four-dimensional model calculation of torsional levels of cyclic water tetramer Journal of Chemical Physics. 109: 5404-5419. DOI: 10.1063/1.477159 |
0.471 |
|
| 1998 |
Qiu Y, Zhang JZH, Bačić Z. Six-dimensional quantum calculations of vibration-rotation-tunneling levels of ν1 and ν2 HCl-stretching excited (HCl)2 The Journal of Chemical Physics. 108: 4804-4816. DOI: 10.1063/1.475891 |
0.511 |
|
| 1997 |
Bach A, Leutwyler S, Sabo D, Bačić Z. Very large amplitude intermolecular vibrations and wave function delocalization in 2,3-dimethylnaphthalene · He van der Waals complex Journal of Chemical Physics. 107: 8781-8793. DOI: 10.1063/1.475170 |
0.476 |
|
| 1997 |
Qiu Y, Bačić Z. Exact six-dimensional quantum calculations of the rovibrational levels of (HCl)2 The Journal of Chemical Physics. 106: 2158-2170. DOI: 10.1063/1.473139 |
0.512 |
|
| 1997 |
Bačić Z. Size and isomer dependence of HF vibrational frequency shift in ArnHF van der Waals clusters with n=1–14 Journal of the Chemical Society, Faraday Transactions. 93: 1459-1466. DOI: 10.1039/A607739K |
0.378 |
|
| 1996 |
Bačić Z, Miller RE. Molecular Clusters: Structure and Dynamics of Weakly Bound Systems The Journal of Physical Chemistry. 100: 12945-12959. DOI: 10.1021/Jp960574J |
0.393 |
|
| 1996 |
Niyaz P, Bačić Z, Moskowitz JW, Schmidt KE. ArnHF (n = 1–4) van der Waals clusters: a quantum Monte Carlo study of ground state energies, structures and HF vibrational frequency shifts Chemical Physics Letters. 252: 23-32. DOI: 10.1016/S0009-2614(96)00124-8 |
0.476 |
|
| 1996 |
Sabo D, Bačić Z, Graf S, Leutwyler S. Three-dimensional model treatment of the torsional levels of isotopic water trimers Chemical Physics Letters. 261: 318-328. DOI: 10.1016/0009-2614(96)00984-0 |
0.348 |
|
| 1995 |
Droz T, Leutwyler S, Mandziuk M, Bačić Z. van der Waals vibrations and isomers of 2,3‐dimethylnaphthalene⋅Ne: Experiment and quantum three‐dimensional calculations The Journal of Chemical Physics. 103: 4855-4868. DOI: 10.1063/1.470621 |
0.458 |
|
| 1995 |
Droz T, Leutwyler S, Mandziuk M, Bačić Z. Spectroscopy and quantum dynamics of the 1,2‐dimethylnaphthalene⋅Ar van der Waals complex The Journal of Chemical Physics. 102: 4715-4725. DOI: 10.1063/1.469520 |
0.504 |
|
| 1995 |
von Dirke M, Bačić Z, Zhang DH, Zhang JZH. Vibrational predissociation of HF dimer in νHF=1: Influence of initially excited intermolecular vibrations on the fragmentation dynamics The Journal of Chemical Physics. 102: 4382-4389. DOI: 10.1063/1.469487 |
0.475 |
|
| 1995 |
Zhang DH, Wu Q, Zhang JZH, von Dirke M, Bačić Z. Exact full‐dimensional bound state calculations for (HF)2, (DF)2, and HFDF The Journal of Chemical Physics. 102: 2315-2325. DOI: 10.1063/1.468719 |
0.511 |
|
| 1995 |
Sabo D, Bačić Z, Bürgi T, Leutwyler S. Three-dimensional model calculation of torsional levels of (H2O)3 and (D2O)3 Chemical Physics Letters. 244: 283-294. DOI: 10.1016/0009-2614(95)00923-R |
0.355 |
|
| 1995 |
Schröder T, Schinke R, Bačić Z. Resonances in the UV photodissociation of the Ar…HCl van der Waals complex? An exact quantum 3D wave packet study Chemical Physics Letters. 235: 316-320. DOI: 10.1016/0009-2614(95)00131-M |
0.431 |
|
| 1994 |
Liu S, Bac̆ić Z, Moskowitz JW, Schmidt KE. Size dependence of HF vibrational frequency shift for ArnHF (n=1–14) van der Waals clusters via quantum five‐dimensional bound state calculations The Journal of Chemical Physics. 101: 10181-10184. DOI: 10.1063/1.469757 |
0.442 |
|
| 1994 |
Droz T, Leutwyler S, Mandziuk M, Bačić Z. Intermolecular vibrations of o‐xylene⋅Ar in the S0 and S1 states: Experiment and quantum three dimensional calculations The Journal of Chemical Physics. 101: 6412-6423. DOI: 10.1063/1.468404 |
0.498 |
|
| 1994 |
Liu S, Bačić Z, Moskowitz JW, Schmidt KE. HF vibrational redshift for the icosahedral Ar12HF van der Waals cluster is the same as in an Ar matrix: Quantum five‐dimensional bound state calculations The Journal of Chemical Physics. 101: 6359-6361. DOI: 10.1063/1.468390 |
0.465 |
|
| 1994 |
Liu S, Bačić Z, Moskowitz JW, Schmidt KE. ArnH2O (n=1–14) van der Waals clusters: Size evolution of equilibrium structures The Journal of Chemical Physics. 101: 8310-8320. DOI: 10.1063/1.468097 |
0.352 |
|
| 1994 |
Mandziuk M, Bačić Z. Quantum three‐dimensional calculation of endohedral vibrational levels of atoms inside strongly nonspherical fullerenes: Ne@C70 The Journal of Chemical Physics. 101: 2126-2140. DOI: 10.1063/1.467719 |
0.538 |
|
| 1994 |
Mandziuk M, Bačić Z, Droz T, Leutwyler S. Intermolecular vibrations of the 2,3‐dimethylnaphthalene⋅Ar van der Waals complex: Experiment and quantum three‐dimensional calculations The Journal of Chemical Physics. 100: 52-62. DOI: 10.1063/1.466968 |
0.501 |
|
| 1994 |
Liu S, Bačić Z, Moskowitz JW, Schmidt KE. Equilibrium structures and approximate HF vibrational red shifts for ArnHF (n=1–14) van der Waals clusters The Journal of Chemical Physics. 100: 7166-7181. DOI: 10.1063/1.466915 |
0.422 |
|
| 1994 |
Schröder T, Schinke R, Mandziuk M, Bačić Z. Resonances in the photodissociation of HCl in the Ar–HCl van der Waals complex: How prominent are they? The Journal of Chemical Physics. 100: 7239-7249. DOI: 10.1063/1.466871 |
0.471 |
|
| 1994 |
Mandziuk M, Bačić Z. Three-dimensional discrete variable representation for accurate Van der Waals vibrational states of complexes between atoms and large molecules, including fullerenes Faraday Discuss.. 97: 265-283. DOI: 10.1039/Fd9949700265 |
0.538 |
|
| 1993 |
Mandziuk M, Bačić Z. van der Waals vibrational states of atom–large molecule complexes by a 3D discrete variable representation method: Naphthalene⋅Ar The Journal of Chemical Physics. 98: 7165-7178. DOI: 10.1063/1.464734 |
0.466 |
|
| 1992 |
Zhang DH, Zhang JZH, Bačić Z. A time‐dependent golden rule wave packet calculation for vibrational predissociation of D2HF The Journal of Chemical Physics. 97: 927-934. DOI: 10.1063/1.463964 |
0.4 |
|
| 1992 |
Zhang DH, Zhang JZH, Bac̆ić Z. A time‐dependent calculation for vibrational predissociation of H2HF The Journal of Chemical Physics. 97: 3149-3156. DOI: 10.1063/1.463939 |
0.381 |
|
| 1992 |
Bac̆ić Z, Kennedy‐Mandziuk M, Moskowitz JW, Schmidt KE. He2Cl2 and He3Cl2 van der Waals clusters: A quantum Monte Carlo study The Journal of Chemical Physics. 97: 6472-6480. DOI: 10.1063/1.463708 |
0.437 |
|
| 1992 |
Bačić Z, Zhang JZH. High‐lying rovibrational states of floppy X3 triatomics by a new D3h symmetry adapted method: Application to the H+3 molecule The Journal of Chemical Physics. 96: 3707-3713. DOI: 10.1063/1.461925 |
0.467 |
|
| 1992 |
Zhang DH, Zhang JZ, Bačić Z. Mode-specific decay widths in vibrational predissociation of D2HF Chemical Physics Letters. 194: 313-317. DOI: 10.1016/0009-2614(92)86057-O |
0.38 |
|
| 1991 |
Bačić Z. Accurate calculation and assignment of highly excited vibrational levels of floppy triatomic molecules in a basis of adiabatic vibrational eigenstates The Journal of Chemical Physics. 95: 3456-3466. DOI: 10.1063/1.461798 |
0.34 |
|
| 1991 |
Mladenović M, Bac̆ić Z. Rovibrational states of Ar–HCN van der Waals complex: A localized representation calculation The Journal of Chemical Physics. 94: 4988-5003. DOI: 10.1063/1.460736 |
0.465 |
|
| 1991 |
Bačić Z, Zhang J. A new D3h symmetry-adapted method for highly excited vibrational levels of floppy triatomics: the H+3 molecule Chemical Physics Letters. 184: 513-520. DOI: 10.1016/0009-2614(91)80027-U |
0.516 |
|
| 1990 |
Mladenović M, Bačić Z. Highly excited vibration–rotation states of floppy triatomic molecules by a localized representation method: The HCN/HNC molecule The Journal of Chemical Physics. 93: 3039-3053. DOI: 10.1063/1.458838 |
0.458 |
|
| 1990 |
Bačić Z, Kress JD, Parker GA, Pack RT. Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. IV. Discrete variable representation (DVR) basis functions and the analysis of accurate results for F+H2 The Journal of Chemical Physics. 92: 2344-2361. DOI: 10.1063/1.457976 |
0.481 |
|
| 1990 |
Kress JD, Bacic Z, Parker GA, Pack RT. Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. 5. Comparison between two accurate potential energy surfaces for hydrogen atom + hydrogen and deuterium atom + hydrogen The Journal of Physical Chemistry. 94: 8055-8058. DOI: 10.1021/J100384A016 |
0.361 |
|
| 1990 |
MLADENOVIC M, BACIC Z. ChemInform Abstract: Highly Excited Vibration-Rotation States of Floppy Triatomic Molecules by a Localized Representation Method: The HCN/HNC Molecule. Cheminform. 21. DOI: 10.1002/chin.199052037 |
0.31 |
|
| 1989 |
Bacic Z, Light JC. Theoretical Methods for Rovibrational States of Floppy Molecules Annual Review of Physical Chemistry. 40: 469-498. DOI: 10.1146/Annurev.Pc.40.100189.002345 |
0.485 |
|
| 1989 |
Kress JD, Bačić Z, Parker GA, Pack RT. Quantum effects in the F+H2→HF+H reaction. Accurate 3D calculations with a realistic potential energy surface Chemical Physics Letters. 157: 484-490. DOI: 10.1016/S0009-2614(89)87396-8 |
0.476 |
|
| 1986 |
Bacic Z, Gerber RB. Dissociation dynamics of mass-asymmetric molecules in impact on solid surfaces The Journal of Physical Chemistry. 90: 2917-2922. DOI: 10.1021/J100404A027 |
0.318 |
|
| 1986 |
Bačić Z, Buck U, Meyer H, Schinke R. Energy transfer in ammonia-dimer-helium collisions Chemical Physics Letters. 125: 47-52. DOI: 10.1016/0009-2614(86)85153-3 |
0.377 |
|
| 1985 |
Bačić Z, Bosanac SD. Coalescent resonances in 4He/LiF(001) surface scattering The Journal of Chemical Physics. 83: 1933-1938. DOI: 10.1063/1.449330 |
0.304 |
|
| 1985 |
Bačić Z, Schinke R, Diercksen GHF. Vibrational relaxation of CO (n=1) in collisions with H2. II. Influence of H2 rotation The Journal of Chemical Physics. 82: 245-253. DOI: 10.1063/1.448797 |
0.478 |
|
| 1985 |
Bačić Z, Schinke R, Diercksen GHF. Vibrational relaxation of CO (n=1) in collisions with H2. I. Potential energy surface and test of dynamical approximations The Journal of Chemical Physics. 82: 236-244. DOI: 10.1063/1.448796 |
0.451 |
|
| 1985 |
Engel V, Bacic Z, Schinke R, Shapiro M. Absorption spectra for collinear (nonreactive) H3: Comparison between quantal and classical calculations The Journal of Chemical Physics. 82: 4844-4849. DOI: 10.1063/1.448653 |
0.48 |
|
| 1985 |
Engel V, Bacic Z, Schinke R, Shapiro M. Absorption spectra for collinear (nonreactive) H3: Comparison between quantal and classical calculations The Journal of Chemical Physics. 82: 4844-4849. |
0.37 |
|
| 1984 |
Baçic Z, Bosanac SD. Analysis of rotationally inelastic molecule-surface collisions: A two-dimensional treatment Physical Review A. 30: 2998-3004. DOI: 10.1103/Physreva.30.2998 |
0.346 |
|
| 1984 |
Bačić Z, Bosanac S. Two-dimensional model of molecule—surface scattering Chemical Physics Letters. 105: 518-522. DOI: 10.1016/0009-2614(84)80102-5 |
0.393 |
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