Pregled po projektu: 0098033
Pronađeno 40 radova
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1.Ljubić, Ivan; Sabljić, AleksandarTheoretical Study of Structure, Vibrational Frequencies and Electronic Spectra of Dibenzofuran and its Polychlorinated Derivatives // Journal of Physical Chemistry A, 111 (2007), 7; 1339-1350 (međunarodna recenzija, članak, znanstveni)
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2.Došlić, NađaTerahertz-laser control of large amplitude vibrational motion in the sub-one-cycle pulse limit // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 110 (2006), 45; 12400-12405 doi:10.1021/jp064363i (međunarodna recenzija, članak, znanstveni)
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3.Došlić, NađaGeneralization of the Rabi population inversion dynamics in the sub-one-cycle pulse limit // Physical Review A, 74 (2006) (međunarodna recenzija, članak, znanstveni)
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4.Ljubić, Ivan; Sabljić, AleksandarTheoretical Study of Structure, Vibrational Frequencies, and Electronic Spectra of Polychlorinated Dibenzo-p-dioxins // Journal of Physical Chemistry A, 110 (2006), 13; 4524 - 4534 (međunarodna recenzija, članak, znanstveni)
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5.Matanović, Ivana; Došlić, NadjaAnharmonic vibrational spectra of acetylacetone // International journal of quantum chemistry, 106 (2006), 1367-1374 (međunarodna recenzija, članak, znanstveni)
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6.Pavlović, Gordana; Tralić-Kulenović, Vesna; Vinković, Marijana; Vikić-Topić, Dražen; Matanović, Ivana; Popović, ZoraSupramolecular amide and thioamide synthons in hydrogen bonding patterns of N-aryl-furamides and N-aryl-thiofuramides // Structural chemistry, 17 (2006), 275-285 (međunarodna recenzija, članak, znanstveni)
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7.Kovačević, Goran; Sabljić, AleksandarAddition of OH radical to halogenated aromatic hydrocarbons // 1st south european workshop on practical approaches to computational biology
Opatija, Hrvatska, 2005. (poster, sažetak, ostalo) -
8.Matanović, Ivana; Došlić, Nađa; Kühn, OliverKvantni opis gibanja široke amplitude // 1st South Eastern European Workshop on Practical Approaches to Computational Biology / Tomić, , S. (ur.).
Zagreb, 2005. (poster, sažetak, ostalo) -
9.Matanović, Ivana; Došlić, Nađa; Kühn, OliverKvantni opis gibanja široke amplitude // Laser Control and Molecular Switches / Pichler, G. (ur.).
Zagreb, 2005. (poster, sažetak, znanstveni) -
10.Matanović, Ivana; Došlić, NađaInfrared Spectroscopy of the Intramolecular Hydrogen Bond in Acetylacetone: A Computational Approach // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (2005), 4185-4194 (međunarodna recenzija, članak, znanstveni)
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11.Ljubić, Ivan; Sabljić, AleksandarDibenzo-p-dioxin. An ab initio CASSCF/CASPT2 Study of the pi-pi* and n-pi* Valence Excited States. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (2005), 36; 8209-8217 (međunarodna recenzija, članak, znanstveni)
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12.Ljubić, Ivan; Sabljić, AleksandarOzonolysis of Fluoroethene. Theoretical Study of Unimolecular Decomposition Paths of Primary and Secondary Fluorozonide // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (2005), 10; 2381-2393 (međunarodna recenzija, članak, znanstveni)
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13.Ljubić, Ivan; Sabljić, AleksandarFluorocarbonyl oxide: CASSCF/CASPT2 study of structure, cis effect and unimolecular decomposition paths // Chemical physics, 309 (2005), 2-3; 157-165 (međunarodna recenzija, članak, znanstveni)
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14.Matanović, Ivana; Došlić, NađaIntramolekulska vodikova veza u acetilactonu: Infracrvena spektroskopija i dinamika tuneliranja // Brijuni conference: Matter under extreme conditions / Bosanac, S. D. (ur.).
Zagreb, 2004. (poster, sažetak, znanstveni) -
15.Matanović, Ivana; Došlić, NađaIntramolekulska vodikova veza u acetilactonu: Infracrvena spektroskopija i dinamika tuneliranja // The 18th International Conference on High Resolution Molecular Spectroscopy / Bludsky O. ; Pracna P. ; Spirko V ; Urban S. (ur.).
Prag, 2004. (poster, sažetak, znanstveni) -
16.Tatić, Iva; Došlić, NađaOn the Robustness of Low-frequency Laser Control Schemes for Proton Transfer in Thioacetylacetone // Croatica chemica acta, 77 (2004), 1-2; 83-88 (međunarodna recenzija, članak, znanstveni)
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17.Baker, James R.; Gamberger, Dragan; Mihelcic, James R.; Sabljić, AleksandarEvaluation of artificial intelligence based models for chemical biodegradability prediction // Molecules, 9 (2004), 989-1004 (međunarodna recenzija, članak, znanstveni)
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18.Peijnenburg, Willie; Sabljić, AleksandarModelling liftime and degradability of organic compounds in air, soil and water systems // Environmental science solutions: a Pan-European perspective
Prag: SETAC Europe, 2004. (predavanje, sažetak, znanstveni) -
19.Ljubić, IvanMehanizmi i kinetike reakcija etena, fluoretena i kloretena s ozonom, 2004., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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20.Ljubić, Ivan; Sabljić, AleksandarCASSCF/CASPT2 study of mechanism and kinetics of the gas-phase ozone additions to ethene, fluoroethene and chloroethene // Brijuni conference: Matter Under Extreme Conditions ; BOOK OF ABSTRACTS / Bosanac, Danko S. (ur.).
Zagreb: Institut Ruđer Bošković, 2004. (poster, sažetak, znanstveni) -
21.Ljubić, Ivan; Sabljić, AleksandarCASSCF/CASPT2 study of mechanism and kinetics of the gas-phase ozone additions to ethene, fluoroethene and chloroethene // "Molecular Quantum Mechanics – ; The No-Nonsense Path to Progress” ; - International Conference in Honor of Prof. N. Handy / Clary, D.C ; Colwell, S.M. ; Schaefer, H.F. (ur.).
Cambridge: Cambridge University, 2004. (poster, sažetak, znanstveni) -
22.Matanović, Ivana; Došlić, Nađa; Mihalić, ZlatkoExploring the potential energy surface for proton transfer in acetylacetone // Chemical physics, 306(1-3) (2004), 201-207 (međunarodna recenzija, članak, znanstveni)
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23.Ljubić, Ivan; Sabljić, AleksandarSystematic CASPT2 analysis of the geometry and force field of ozone with extrapolation to the infinite basis set // Chemical physics letters, 385 (2004), 214-219 (međunarodna recenzija, članak, znanstveni)
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24.Bonacci, Duje; Bosanac, Slobodan D.; Došlić, NađaAnalytic pulse design for selective population transfer in many-level quantum systems: maximizing the amplitude of population oscillations // Physical Review A, 70 (2004), 4; 043413-043423 doi:10.1103/PhysRevA.70.043413 (međunarodna recenzija, članak, znanstveni)
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25.Popović, Zora; Pavlović, Gordana; Roje, Vibor; Došlić, Nađa; Matković-Čalogović, Dubravka; Leban, IvanNitroaniline derivatives of 2-oxo-1-naphthylideneamines - Molecular self-assembling via C-H center dot center dot center dot O intermolecular hydrogen bonds and stabilization of O-H center dot center dot center dot N and N-H center dot center dot center dot O tautomers in solution and solid state // Structural chemistry, 15 (2004), 6; 587-598 doi:10.1007/s11224-004-0734-z (međunarodna recenzija, članak, znanstveni)
