Utorak 23. Travanj 2024
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Uredničke knjige
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Poglavlja u knjizi
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1. Došlić, Nađa; Fujimura, Y.; Gonzalez, L.; Hoki, K.; Kroner, D.; Kuhn, O.; Manz, J.; Ohtsuki, Y.
Quantum control of ultrafast laser-driven isomerization reaction: Proton transfer and selective preparation of enantiomeres // Femtochemistry / DeSchryver, DeFeyter, Schweitzer (ur.).
Berlin : Wiley-VCH, 2001.
Str. 189-198.
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Izvorni znanstveni i pregledni radovi u CC časopisima
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1. Ljubić, Ivan; Sabljić, Aleksandar.
Theoretical Study of Mechanism and Kinetics of the Gas-Phase Ozone Additions to Ethene, Fluoroethene and Chloroethene: A Multireference Approach. // Journal of Physical Chemistry A. 106 (2002) , 18; 4745-4757 (članak, znanstveni).
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2. Živković, Tomislav P.
On the interaction of two finite dimensional quantum systems. // Journal of Mathematical Chemistry. 32 (2002) , 1; 39-71 (članak, znanstveni).
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3. Živković, Tomislav P.
Interaction of a single state with a known infinite system containing one-parameter eigenvalue band. // Journal of Mathematical Chemistry. 32 (2002) , 2; 99-158 (članak, znanstveni).
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4. Baker, J.R.; Mihelcic, J.R.; Sabljić, Aleksandar.
Reliable QSAR for estimating Koc for persistent organic pollutants : correlation with molecular connectivity indices. // Chemosphere. 45 (2001) ; 213-221 (članak, znanstveni).
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5. Bosanac, Slobodan Danko.
The spin. // Fortschritte der Physik (Weinheim). 49 (2001) , 12; 1223-1246 (članak, znanstveni).
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6. Bosanac, Slobodan Danko.
General classical solution for dynamics of charges with radiation reaction. // Journal of physics. A, Mathematical and theoretical. 34 (2001) , 3; 473-490 (članak, znanstveni).
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7. Došlić, Nađa; Stare, Jernej; Mavri, Janez.
Hydrogen bonding in picolinic acid N-oxide. Part II: A proposal for dissipative laser driven proton transfer dynamics. // Chemical physics. 269 (2001) , 1/3; 59-73 (članak, znanstveni).
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8. Sabljić, Aleksandar.
QSAR models for estimating properties of persistent organic pollutants required in evaluation of their environmental fate and risk. // Chemosphere. 43 (2001) ; 363-375 (članak, znanstveni).
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9. Sabljić, Aleksandar; Peijnenburg, W.
Recommendations on Modelling Lifetime and Degradability of Organic Compounds in Air, Soil and Water Systems. // Pure and Applied Chemistry. 73 (2001) ; 1331-1348 (članak, znanstveni).
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10. Sekušak, Sanja; Frenking, G.
Stepwise hydrogenation of N2-A large scale investigation of the performance and basis set convergence of DFT and conventional ab initio methods. // Journal of molecular structure . 541 (2001) ; 17-29 (članak, znanstveni).
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11. Sekušak, Sanja; Sabljic, Aleksandar.
Direct dynamic studies on tropospheric reactivity of fluorinated ethanes : scope and limitations of the general reaction parameter method. // Journal of physical chemistry A. 105 (2001) ; 1968-1978 (članak, znanstveni).
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12. Živković, Tomislav P.
Augmentation of the generalized nxn eigenvalue equation to a generalized (n+1)x(n+1) eigenvalue equation. // Journal of Mathematical Chemistry. 30 (2001) , 4; 349-373 (članak, znanstveni).
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13. Bartlett, R.J.; Cory, M.G.; Piecuch, P.; Sekušak, Sanja.
Reaction-path and dual-level dynamics of hydroxyl radical reaction with dimethyl sulfide. // Journal of physical chemistry A. 104 (2000) , 38; 8779-8786 (članak, znanstveni).
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14. Došlić, Nađa; Kuhn, O.
Monitoring laser driven hydrogen atom motion by transient infrared spectroscopy. // Chemical physics. 255 (2000) , 2-3; 247-257 (članak, znanstveni).
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15. Klipa, Nenad; Bosanac, Slobodan.
Quantum effects from the classical principles. // International journal of theoretical physics, group theory, and nonlinear optics. 7 (2000) ; 15-62 (članak, znanstveni).
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16. Novak, Predrag; Škare, Danko; Sekušak, Sanja; Vikic-Topic, Dražen.
Substituend, temperature, and solvent effects on keto-enol equilibrium in some symmetrical pentane-1,3,5-triones. Nuclear magnetic resonance and theoretical studies. // Croatica chemica acta. 73 (2000) ; 1153-1170 (članak, znanstveni).
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17. Živković, Tomislav P.
Vibrational isotope effect by the low rank perturbation method. // Journal of Mathematical Chemistry. 28 (2000) , 1-3; 267-285 (članak, znanstveni).
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18. Živković, Tomislav P.
Vibrational isotope effect of linear and planar molecules: Deuterated bromoethenes. // Journal of Mathematical Chemistry. 28 (2000) , 1-3; 287-312 (članak, znanstveni).
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19. Živlović, Tomislav; Schmalz, T.G.; Klein, D.J.
Isoresonant benzenoids. // Polycyclic aromatic compounds. 18 (2000) ; 13-24 (članak, znanstveni).
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20. Belchior, J.C.; Braga, J.P.; Bosanac, Slobodan D.
State-to-state quantum three-dimensional rotational total cross sections from two-dimensional close-coupled equations. // Journal of physics B : atomic, molecular and optical physics. 32 (1999) ; 1723-1731 (članak, znanstveni).
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21. Došlić, Nađa; Sundermann, K.; Gonzales, L.; Mo, O.; Giraud-Girard, J.; Kühn, O.
Ultrafast photoinduced dissipative hydrogen switching dynamics in thioacetylacetone. // Physical chemistry chemical physics. 1 (1999) , 6; 1249-1257 (članak, znanstveni).
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22. Horvat, Dražen; Đaković, Zorislav; Živković, Tomislav P.
Self-consistent field low rank perturbation method. // Croatica chemica acta. 72 (1999) , 4; 945-952 (članak, znanstveni).
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23. Sekušak, Sanja; Cory, M.; Bartlett, R.; Sabljić, Aleksandar.
Dual-level direct dynamics of the hydroxyl radical reaction with ethane and haloethanes : towards a general reaction parameter method. // Journal of physical chemistry A. 103 (1999) , 51; 11394-11405 (članak, znanstveni).
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24. Živković, Tomislav; Klein, D.J.; Schmalz, T.G.
Covalent isoresonance. // Polycyclic aromatic compounds. 13 (1999) , 4; 457-471 (članak, znanstveni).
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25. Živković, Tomislav P.
Vibrational isotope effect of planar molecules by the low rank perturbation method : deuterated ethylenes. // Croatica chemica acta. 72 (1999) , 4; 925-944 (članak, znanstveni).
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26. Bosanac, Slobodan Danko.
Scattering on a step potential. // Physica scripta. 57 (1998) , 2; 171-178 (članak, znanstveni).
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27. Bosanac, Slobodan Danko.
Semiclassical theory of Compton and photoelectric effects. // European physical journal D. 1 (1998) , 3; 317-327 (članak, znanstveni).
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28. Bosanac, Slobodan Danko; Murrell, John N.
Unimolecular dissociation dynamics of helium cluster ions. // Chemical physics letters. 291 (1998) , 1-2; 64-70 (članak, znanstveni).
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29. Došlić, Nađa; Kühn, O.; Manz, J.
Infrared laser pulse controlled ultrafast H-atom switching in two-dimensional asymmetric double well potentials. // Berichte der Bunsen Gesellschaft für Physikalische Chemie. 102 (1998) , 3; 292-297 (članak, znanstveni).
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30. Došlić, Nađa; Kühn, O.; Manz, J.; Sundermann, K.
The "hydrogen-subway" - A tunneling approach to intramolecular hydrogen transfer reactions controlled by ultrashort laser pulses. // Journal of physical chemistry A. 102 (1998) , 47; 9645-9650 (članak, znanstveni).
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31. Novak, Predrag; Sekušak, Sanja; Vikić-Topić, Dražen; Popović, Zora.
Hydrogen bonding interactions in the 2,2"-bipyridine-pyromellitic acid complex. Infrared, nuclear magnetic resonance and theoretical studies. // Journal of the Chemical Society : Faraday transactions. 94 (1998) , 8; 1051-1056 (članak, znanstveni).
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32. Sekušak, Sanja; Liedel, K.R.; Sabljić, Aleksandar.
Reactivity and regioselectivity of hydroxyl radical addition to halogenated ethenes. // Journal of physical chemistry. 102 (1998) , 9; 1583-1594 (članak, znanstveni).
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33. Šimek, Višnja; Živković, Tomislav.
Ground-state properties of benzenoid hydrocarbons by simple bond orbital resonance theory approach. // Journal of mathematical chemistry. 24 (1998) , 1-3; 155-168 (članak, znanstveni).
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34. Balaban, Alexandru T.; Živković, Tomislav P.; Klein, Douglas J.; Schmalz, Thomas G.
Reaction graphs for rearrangements of pentagonal-bipyramidal complexes. // Journal of molecular structure. Theochem. 389 (1997) , 3; 265-277 (članak, znanstveni).
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35. Došlić, Nađa; Bosanac, Slobodan D.
New classical method for dynamical calculation in molecular systems. // Molecular physics. 90 (1997) , 4; 599-609 (članak, znanstveni).
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36. Liedel, K.R.; Sekušak, Sanja; Mayer, E.
Has the dimer of carbonic acid a lower energy than its constituents water and carbon dioxide?. // Journal of the American Chemical Society. 119 (1997) , 16; 3782-3784 (članak, znanstveni).
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37. Liedl, K.R; Sekušak, Sanja; Kroemer, R.T.; Rode, B.M.
New insights into the dynamics of concerted proton tunneling in cyclic water and hydrogen fluoride clusters. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 101 (1997) , 26; 4707-4716 (članak, znanstveni).
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38. Sekušak, Sanja; Liedl, K.R.; Rode, B.M.; Sabljić, Aleksandar.
Reaction-path dynamics of hydroxyl radical reactions with ethane and haloethanes. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 101 (1997) , 23; 4245-4253 (članak, znanstveni).
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39. Sekušek, Sanja; Sabljić, Aleksandar.
Reactivity of haloethanes with hydroxyl radicals :
effects of basis set and correlation energy on reaction energetics. // Journal of computational chemistry. 18 (1997) , 9; 1190-1199 (članak, znanstveni).
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40. Šimek, Višnja; Živković, Tomislav P.
Analysis of MO ground states of benzenoid hydrocarbons in terms of BORT resonance structures. // Croatica chemica acta. 70 (1997) , 3; 757-775 (članak, znanstveni).
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41. Gamberger, Dragan; Horvatić, Davor; Sekušak, Sanja; Sabljić, Aleksandar.
Application of expert judgement to derive structure-biodegradation relationships. // Environmental science and pollution research international. 3 (1996) , 4; 224-228 (članak, znanstveni).
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Ostali radovi u CC časopisima
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Znanstveni radovi u drugim časopisima
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Ostali radovi u drugim časopisima
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Radovi u zbornicima skupova bez recenzije
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1. Gamberger, Dragan; Sekušak, Sanja; Medven, Željka; Sabljić, Aleksandar.
Application of artificial intelligence in biodegradation modelling // Proceedings of the NATO Advanced Research Workshop on QSAR Biodegradation II: QSARs for Biotransformation and Biodegradation / Peijnenburg, W.J.G.M ; Damborsky, J. (ur.).
Dordrecht : Kluwer, Dordrecht, 1996. 41-50 (poster,objavljeni rad,znanstveni).
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Sažeci u zbornicima skupova
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1. Novak, Predrag; Škare, Danko; Vikić-Topić, Dražen; Sekušak, Sanja.
Substituent, temperature and solvent effects on keto-enol equilibria in some ß-triketones // Book of abstracts / Böhm, S. ; Urban, S. ; Vlčkova, B. ; Volka, K. (ur.).
Prag : ICT Press, 1998. 277-277 (poster,međunarodna recenzija,sažetak,znanstveni).
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2. Šimek, Višnja; Živković, Tomislav.
Simple description of cyclobutadienes in terms of regular resonance structures // Book of abstracts / Živković, Tomislav ; Vikić-Topić, Dražen (ur.).
Zagreb : Institut Ruđer Bošković, 1998. (poster,međunarodna recenzija,sažetak,znanstveni).
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3. Odžak, Renata; Medven, Željka; Sabljić, Aleksandar.
Modeling biological activity of imidazolium oximes // XV. Hrvatski skup kemičara i kemijskih inženjera-Sažeci / Gojo, Miroslav ; Smolec, Sonja ; Trajkov, Nada (ur.).
Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 1997. 108-108 (poster,domaća recenzija,sažetak,znanstveni).
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Disertacije
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Magistarski radovi
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Diplomski radovi
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