Pregled po projektu: Organski i bioorganski procesi u osnovnom i elektronski pobuđenim stanjima (MB: MZOS-098-0982933-2920)
Pronađeno 135 radova
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76.Štrukil, Vjekoslav; Fábián, László; Reid, David G.; Duer, Melinda J.; Jackson, Graham J.; Eckert-Maksić, Mirjana; Friščić, TomislavTowards an environmentally-friendly laboratory: dimensionality and reactivity in the mechanosynthesis of metal-organic compounds // Chemical communications, 46 (2010), 9191-9193 doi:10.1039/C0CC03822A (međunarodna recenzija, kratko priopcenje, znanstveni)
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77.Eckert-Maksić, Mirjana; Pavošević, Fabijan; Glasovac, Zoran; Naumov, PančeComputational study of the amidyl radicals conjugated with phenyl ring // 46th Symposium on Theoretical Chemistry - Quantum Chemistry for Large and Complex Systems: From Theory to Algorithms and Applications - Book of Abstracts / Grimme, Stefan ; Mueck-Lichtenfeld, Christian (ur.).
Münster: Westfaelische Wilhelms Universitaet Muenster, 2010. str. P41-P41 (poster, međunarodna recenzija, sažetak, znanstveni) -
78.Eckert-Maksić, Mirjana; Maksić, Zvonimir B.,Multireference AQCC study of Hoffman-Bošković bond-stretch isomerization reactions // Fifteenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV) Conference Programme and Abstracts / Elliott, Stephen (ur.).
Cambridge: Magdalene College University of Cambridge, 2010. str. 91-91 (poster, međunarodna recenzija, sažetak, znanstveni) -
79.Eckert-Maksić, Mirjana; Vazdar, Mario; Ruckenbauer, Matthias; Barbatti, Mario; Müller, Thomas; Lischka, HansMatrix-Controlled Photofragmentation of Formamide: Dynamics Simulation in Argon by Nonadiabatic QM/MM Method // Physical Chemistry Chemical Physics, 12 (2010), 39; 12719-12726 doi:10.1039/C0CP00174K (međunarodna recenzija, članak, znanstveni)
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80.Schroeder, Detlef; Duchačkova, Lucie; Jušinski, Iva; Eckert-Maksić, Mirjana; Heyda, Jan; Tuma, Lukaš; Jungwirth, PavelCharacterization of the Triple Ion [(CH3)4N+ . PF6- . (CH3)4N+] in the Gas Phase // Chemical physics letters, 490 (2010), 1-3; 14-18 doi:10.1016/j.cplett.2010.03.019 (međunarodna recenzija, članak, znanstveni)
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81.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Lischka, HansFormamide as the Model Compound for Photodissociation Studies of the Peptide Bond, Kinetics and Dynamics // Kinetics and Dynamics: From Nano- to Bio-Scale / Paneth, P. ; Dybala-Defratyka, A. (ur.)., 2010. str. 77-107 doi:10.1007/978-90-481-3034-4_3
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82.Margetić, Davor; Eckert-Maksić, Mirjana; Trošelj, Pavle; Marinić, ŽeljkoReaction of 2, 5-bis-trifluoromethyl-1, 3, 4-oxadiazole with 7- oxanorbornenes revisited: experimental and quantum-chemical study of reaction stereospecificity // Journal of fluorine chemistry, 131 (2010), 3; 408-416 doi:10.1016/j.jfluchem.2009.12.012 (međunarodna recenzija, članak, znanstveni)
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83.Glasovac, Zoran; Štrukil, Vjekoslav; Eckert-Maksić, Mirjana; Schröder, Detlef; Schlangen, Maria; Schwarz, HelmutCoordination chemistry of Nickel(II) Nitrate with Superbasic Guanidines As Studied by Electrospray Mass Spectrometry // International journal of mass spectrometry, 290 (2010), 1; 22-31 doi:10.1016/j.ijms.2009.11.006 (međunarodna recenzija, članak, znanstveni)
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84.Štrukil, Vjekoslav; Fábián, Lászlo; Reid, David G.; Duer, Melinda J.; Eckert-Maksić, Mirjana; Friščić, TomislavA Mechanochemical Approach Towards Solvent-Free Synthesis // Symposium on Mechanochemistry and Solvent-free Synthesis / James ; Stuart (ur.).
Belfast: Queen’s University of Belfast, 2009. str. 32-32 (poster, međunarodna recenzija, sažetak, znanstveni) -
85.Antol, Ivana; Grimme, StefanExcited state potential energy curves by single reference TD-B2PLYP and SCS-CIS(D) methods // Book of Abstracts 45th Symposium on Theoretical Chemistry Excited States: From Photophysics to Photobiology / Marian, Christel M. ; Kleinschmidt, Martin ; Dreuw, Andreas (ur.).
Düsseldorf: Heinrich-Haine-University Duesseldorf, 2009. (poster, međunarodna recenzija, sažetak, znanstveni) -
86.Glasovac, Zoran; Antol, Ivana; Vazdar, Mario; Margetić, DavorZwitterionic structures of strained cis-pyramidalised disilenes – Fact or artifact // Theoretical chemistry accounts, 124 (2009), 5-6; 421-430 doi:10.1007/s00214-009-0633-x (međunarodna recenzija, članak, znanstveni)
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87.Antol, Ivana; Grimme, StefanA TD-B2-PLYP study of excited state proton transfer in malonaldehyde // XXIV International Conference on Photochemistry Book of Abstracts / Douhal, Abderrazzak (ur.).
Toledo: Universidad de Castilla - La Mancha, 2009. str. 501-501 (poster, međunarodna recenzija, sažetak, znanstveni) -
88.Eckert-Maksić, Mirjana; Antol, IvanaStudy of the mechanism of the N−CO photodissociation in N, N-dimethylformamide by direct trajectory surface hopping simulations // The Journal of Physical Chemistry A, 113 (2009), 45; 12582-12590 doi:10.1021/jp9046177 (međunarodna recenzija, članak, znanstveni)
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89.Eckert-Maksić, Mirjana; Lischka, Hans; Maksić, Zvonimir B.; Vazdar, MarioThe Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study // Journal of Physical Chemistry A, 113 (2009), 29; 8351-8358 doi:10.1021/jp9015273 (međunarodna recenzija, članak, znanstveni)
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90.Eckert-Maksić, MirjanaFormamide as the Model for Photodissociation Studies of the Peptide Bond // COST D37 Grid Computing in Chemistry: GRIDCHEM
Prag, Češka Republika, 2009. (predavanje, pp prezentacija, znanstveni) -
91.Margetić, Davor; Trošelj, Pavle; Marinić, ŽeljkoMicrowave reactions of 2, 5-bis-trifluoromethyl-1, 3, 4-oxadiazole with norbornenes // XXI. Hrvatski skup kemičara i kemijskih inženjera – Knjiga sažetaka / Novak, Predrag ; Pičuljan, Katarina ; Smolec, Sonja (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2009. str. 86-86 (poster, sažetak, znanstveni) -
92.Trošelj, Pavle; Margetić, DavorDesign and synthesis of polynorbornane anion receptors with guanidine functionalities // XXI. Hrvatski skup kemičara i kemijskih inženjera – Knjiga sažetaka / Novak, Predrag ; Pičuljan, Katarina ; Smolec, Sonja (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2009. str. 112-112 (poster, sažetak, znanstveni) -
93.Pavošević, Fabijan; Škorić, Irena; Margetić, Davor; Vazdar, Mario; Marinić, Željko; Eckert- Maksić, Mirjana; Šindler-Kulyk, MarijaTermičke (8pi, 6pi)-elektrociklizacije novih oktatetraenskih derivata : sinteza i kvantno kemijski računi // XXI. hrvatski skup kemičara i kemijskih inženjera : knjiga sažetaka = book of abstracts / Pičuljan, Katarina ; Smolec, S0nja (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2009. str. 107-107 (poster, sažetak, znanstveni) -
94.Vazdar, Mario; Eckert-Maksić, Mirjana; Barbatti, Mario; Lischka, HansTheoretical investigation of the nonadiabatic deactivation of pyrrole // XXI. Hrvatski skup kemičara i kemijskih inženjera – Knjiga sažetaka / Novak, Predrag ; Pičuljan, Katarina ; Smolec, Sonja (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2009. str. 182-182 (poster, sažetak, znanstveni) -
95.Vazdar, Mario; Eckert-Maksić, Mirjana; Barbatti, Mario; Lischka, HansExcited-state non-adiabatic dynamics simulations of pyrrole // Molecular physics, 107 (2009), 8-12; 845-854 doi:10.1080/00268970802665639 (međunarodna recenzija, članak, znanstveni)
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96.Glasovac, Zoran; Vazdar, Mario; Margetić, DavorProton affinities of didehydroporphyrin and subporphyrin in ground and excited states obtained by quantum chemical calculations // Croatica Chemica Acta, 82 (2009), 1; 63-70 (međunarodna recenzija, članak, znanstveni)
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97.Glasovac, Zoran; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculations // New journal of chemistry, 33 (2009), 3; 588-597 doi:10.1039/b814812k (međunarodna recenzija, članak, znanstveni)
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98.Margetić, Davor; Murata, Yasujiro; Komatsu, Koichi; Marinić, ŽeljkoRigid Alicyclic Molecules from Bicyclo[2.2.1]hept-2-enes (=8, 9, 10-Trinorbornenes) and 1, 4-Dipyridin-2-ylphthalazines as Stereoselective Coupling Agents // Helvetica chimica acta, 92 (2009), 2; 298-312 doi:10.1002/hlca.200800205 (međunarodna recenzija, članak, znanstveni)
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99.Vazdar, MarioAb initio studij istezne izomerizacije ciklobutadiena i njegovih derivata, 2008., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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100.Marinić, Željko; Trošelj, Pavle; Eckert-Maksić, Mirjana; Margetić, DavorSpectroscopic and Quantum_Chemical Assignments of Stereochemistry of Products Obtained by 1, 3-dipolar Cycloaddition Reactions of Substituted 1, 3, 4-oxadiazoles With Norbornenes // Abstracts of the XXIX European Congress on Molecular Spectroscopy : EUCMOS 2008 / Musić, Svetozar ; Ristić, Mira ; Krehula, Stjepko (ur.).
Opatija, Hrvatska, 2008. str. 243-243 (poster, sažetak, znanstveni)
