Pregled po CROSBI profilu: Mirjana Maksić (CROSBI Profil: 18698, MBZ: 27544)
Pronađeno 303 radova
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51.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) -
52.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) -
53.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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54.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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55.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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56.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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57.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) -
58.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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59.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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60.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) -
61.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) -
62.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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63.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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64.Vazdar, MarioAb initio studij istezne izomerizacije ciklobutadiena i njegovih derivata, 2008., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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65.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) -
66.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Lischka, HansPhotochemistry of formamide and its protonated forms – An ab initio surface hopping dynamics simulations // 7th European Conference on Computational Chemistry : Book of abstracts / Polimeno, Antonino ; Casarin, Maurizio ; Olivucci, Massimo ; Laganá, Antonio (ur.).
Venecija: Universita degli studi di Padova, 2008. str. 105-106 (poster, međunarodna recenzija, sažetak, znanstveni) -
67.Vazdar, Mario; Eckert-Maksić, Mirjana; Barbatti, Mario Barbatti; Aquino, Adélia J. A. Aquino, Lischka, HansThe mechanism of the nonadiabatic deactivation of pyrrole // Abstracts of the Central European Symposium on Theoretical Chemistry 2008 : CESTC 2008 / Čarsky, Petr (ur.).
Prag, 2008. str. 50-51 (poster, sažetak, znanstveni) -
68.Tintaru, Aura; Roithová, Jana; Schröder, Detlef; Charles, Laurence; Jušinski, Iva; Glasovac, Zoran; Eckert-Maksić, MirjanaGeneration and dissociation pathways of singly and doubly protonated bisguanidines in the gas phase // Journal of Physical Chemistry A, 112 (2008), 47; 12097-12103 doi:10.1021/jp805897f (međunarodna recenzija, članak, znanstveni)
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69.Eckert-Maksić, Mirjana; Glasovac, Zoran; Trošelj, Pavle; Kütt, Agnes; Rodima, Toomas; Koppel, Ivar; Koppel, Ilmar A.Basicity of guanidines with heteroalkyl side chains in acetonitrile // European Journal of Organic Chemistry, 2008 (2008), 30; 5176-5184 doi:10.1002/ejoc.200800673 (međunarodna recenzija, članak, znanstveni)
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70.Antol, Ivana; Eckert-Maksić, Mirjana; Ončák, Milan; Slavíček, Petr; Lischka, HansPhotodissociation pathways of acetone upon excitation into the 3s Rydberg state: adiabatic versus diabatic mechanism // Collection of Czechoslovak chemical communications, 73 (2008), 11; 1475-1494 doi:10.1135/cccc20081475 (međunarodna recenzija, članak, znanstveni)
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71.Glasovac, Zoran; Eckert-Maksić, MirjanaAIM and NBO analysis of the intramolecular hydrogen bond in guanidine derivatives // 19th IUPAC Conference on Physical Organic Chemistry : Abstracts / Leis, José R. ; García-Río, Luís ; Santaballa, Arturo ; Canle, Moisés ; Mejuto, Juan C. (ur.).
Santiago de Compostela: The Royal University of Santiago de Compostela, 2008. str. 215-215 (poster, međunarodna recenzija, sažetak, znanstveni) -
72.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Lischka, HansDynamic simulations of photodissociations of formamide and its protonated form in the gas phase // Book of Abstracts of the 19th IUPAC Conference on Physical Organic Chemistry / Leis, José R. ; García-Río, Luís ; Santaballa, Arturo ; Canle, Moisés ; Mejuto, Juan C. (ur.).
Santiago de Compostela: The Royal University of Santiago de Compostela, 2008. str. 74-74 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
73.Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Eckert-Maksić, MirjanaAn ab initio surface hopping dynamics study on the photodeactivation processes in protonated formamide // Electron correlation and molecular dynamics for excited states and photochemistry Symposium in honor of Hans Lischka´s 65th birthday : Book of Abstracts / Aquino, A. J. Adélia (ur.).
Beč: Erwin Schrödinger Institute (ESI), 2008. str. 34-34 (poster, međunarodna recenzija, sažetak, znanstveni) -
74.Vazdar, Mario; Barbatti, Mario; Aquino, Adélia J. A.; Eckert-Maksić, Mirjana; Lischka, HansThe nonadiabatic deactivation paths of pyrrole // Electron correlation and molecular dynamics for excited states and photochemistry Symposium in honor of Hans Lischka´s 65th birthday : Abstracts / Aquino, A. J. Adélia ; (ur.).
Beč: Erwin Schrödinger Institute (ESI), 2008. str. 35-35 (poster, međunarodna recenzija, sažetak, znanstveni) -
75.Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Eckert-Maksić, MirjanaThe effect of protonation on the photodissociation processes in formamide – an ab initio surface hopping dynamics study // Chemical physics, 349 (2008), 1-3; 308-318 doi:10.1016/j.chemphys.2008.01.026 (međunarodna recenzija, članak, znanstveni)
