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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1.Glasovac, Zoran; Eckert-Maksić, Mirjana; Kaljurand, Ivari; Saame, Jaan; Leito, IvoGas phase basicity of biguanides – Comparison of the equilibrium and the kinetic methods // International journal of mass spectrometry, 435 (2019), 61-68 doi:10.1016/j.ijms.2018.10.010 (međunarodna recenzija, članak, znanstveni)
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2.Antol, Ivana; Eckert-Maksić, MirjanaThe influence of multiple fluorination on the ring opening of [2.2.2]propellane // Croatica chemica acta, 90 (2017), 2; 215-223 doi:10.5562/cca3172 (međunarodna recenzija, članak, znanstveni)
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3.Antol, Ivana; Margetić, DavorA DFT study of endocyclic allenes: unprecedentedly superbasic hydrocarbons // New journal of chemistry, 40 (2016), 8191-8193 doi:10.1039/C6NJ00623J (međunarodna recenzija, članak, znanstveni)
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4.Vazdar, Mario; Eckert-Maksić, Mirjana; Lischka, HansThe antiferromagnetic spin coupling in non- Kekulé Acenes–impressive poly-radical character revealed by high level multi-reference methods // ChemPhysChem, 17 (2016), 13; 2013-2021 doi:10.1002/cphc.201600103 (međunarodna recenzija, članak, znanstveni)
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5.Vazdar, Mario; Eckert-Maksić, MirjanaMultireference Configuration Interaction Methods : An Application to the Valence Isomerism in Cyclobutadieno-p-benzoquinone and its Diprotonated Form // Croatica chemica acta, 88 (2015), 4; 495-503 doi:10.5562/cca2770 (međunarodna recenzija, članak, znanstveni)
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6.Štrukil, Vjekoslav; Antol, Ivana; Glasovac, ZoranThe utility of 1, 5, 7-triazabicyclo[4.4.0]dec-5-ene (TBD) as a hydrogen bond acceptor in the design of novel superbasic guanidines – A computational study // Croatica chemica acta, 87 (2014), 4; 423-430 doi:10.5562/cca2487 (međunarodna recenzija, članak, znanstveni)
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7.Antol, Ivana; Glasovac, Zoran; Crespo-Otero, Rachel; Barbatti, MarioGuanidine and guanidinium cation in the excited state-theoretical investigation // The Journal of chemical physics, 141 (2014), 7; 074307, 11 doi:10.1063/1.4892569 (međunarodna recenzija, članak, znanstveni)
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8.Margetić, Davor; Jušinski, Iva; Škorić, IrenaDFT Studies of 8p, 6p-Electrocyclizations of Benzooctatetraenes and Benzodecapentaenes // Computational Chemistry: Theories, Methods and Applications / Bove, Daria (ur.).
New York (NY): Nova Science Publishers, 2014. str. 167-194 -
9.Štrukil, Vjekoslav; Lekšić, Edislav; Meštrović, Ernest; Eckert-Maksić, MirjanaThe synthesis and structural characterization of peralkylated triguanide superbases // Australian journal of chemistry, 67 (2014), 7; 1129-1133 doi:10.1071/CH14233 (međunarodna recenzija, članak, znanstveni)
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10.Glasovac, Zoran; Eckert-Maksić, MirjanaEffect of Intramolecular Hydrogen Bonds on the Gas-phase Basicity of Guanidines // Australian journal of chemistry, 67 (2014), 7; 1056-1062 doi:10.1071/CH14182 (međunarodna recenzija, članak, znanstveni)
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11.Gracin, Davor; Štrukil, Vjekoslav; Friščić, Tomislav; Halasz, Ivan; Užarević, KrunoslavLaboratory real-time and in situ monitoring of mechanochemical milling reactions using Raman spectroscopy // Angewandte Chemie. International edition, 53 (2014), 24; 6193-6197 doi:10.1002/anie.201402334 (međunarodna recenzija, članak, znanstveni)
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12.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, MarioAcetamide as the Model of the Peptide Bond: Nonadiabatic Photodynamical Simulations in the Gas Phase and in the Argon Matrix // Computational and theoretical chemistry, 1040/1041 (2014), 136-143 doi:10.1016/j.comptc.2014.02.025 (međunarodna recenzija, članak, znanstveni)
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13.Timr, Stepan; Bondar, Alexey; Cwiklik, Lukasz; Stefl, Martin; Hof, Martin; Vazdar, Mario; Lazar, Josef; Jungwirth, PavelAccurate Determination of the Orientational Distribution of a Fluorescent Molecule in a Phospholipid Membrane // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 118 (2014), 4; 855-863 doi:10.1021/jp4067026 (međunarodna recenzija, članak, znanstveni)
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14.Eckert-Maksić, MirjanaSearch for strong guanidine bases. Theory and experiment in concert // The 14th European Symposium on Organic Reactivity- Book of abstracts / Michl, Josef ; Roithová, Jana (ur.).
Prag: Institute of Chemical Technology & Institute of Organic Chemistry and Biochemistry, 2013. (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) -
15.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, MarioComputational study of acetamide photodissociation // 18th European Symposium on Organic Chemistry / Rodriguez, Jean-Antoine (ur.).
Marseille: Aix Marseille University, 2013. (poster, međunarodna recenzija, sažetak, znanstveni) -
16.Vazdar, Mario; Wernersson, Erik; Khabiri, Morteza; Cwiklik, Lukasz; Jurkiewicz, Piotr; Hof, Martin; Mann, Ella; Kolusheva, Sofiya; Jelinek, Raz; Jungwirth, PavelAggregation of Oligoarginines at Phospholipid Membranes: Molecular Dynamics Simulations, Time- Dependent Fluorescence Shift, and Biomimetic Colorimetric Assays // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 117 (2013), 39; 11530-11540 doi:10.1021/jp405451e (međunarodna recenzija, članak, znanstveni)
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17.Glasovac, Zoran; Trošelj, Pavle; Jušinski, Iva; Margetić, Davor; Eckert-Maksić, MirjanaSynthesis of highly basic hexasubstituted biguanides by environmentally friendly methods // Synlett, 24 (2013), 19; 2540-2544 doi:10.1055/s-0033-1339876 (međunarodna recenzija, članak, znanstveni)
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18.Glasovac, Zoran; Pavošević, Fabijan; Štrukil, Vjekoslav; Eckert-Maksić, Mirjana; Schlangen, Maria; Kretschmer, RobertToward Extension of the Gas-Phase Basicity Scale by Novel Pyridine Containing Guanidines // International journal of mass spectrometry, 354/355 (2013), 113-122 doi:10.1016/j.ijms.2013.06.012 (međunarodna recenzija, članak, znanstveni)
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19.Glasovac, Zoran; Racar, Marko; Briš, Anamarija; Margetić, Davor; Eckert-Maksić, MirjanaOrganocatalytic activity of the new guanidine derivatives // XXIII Hrvatski skup kemičara i kemijskih inženjera, Knjiga sažetaka / Hadžiev, Andrea ; Blažeković, Zdenko (ur.).
Zagreb: Hrvatsko kemijsko društvo / Hrvatsko društvo kemijskih inženjera i tehnologa, 2013. str. 163-163 (poster, domaća recenzija, sažetak, znanstveni) -
20.Šekutor, Marina; Glasovac, Zoran; Mlinarić-Majerski, KataNeighboring Effect in Fragmentation Pathways of Cage 2 Guanylhydrazones in the Gas Phase // Journal of physical chemistry. A, 117 (2013), 10; 2242-2252 doi:10.1021/jp311049f (međunarodna recenzija, članak, znanstveni)
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21.Antol, IvanaPhotodeactivation paths in norbornadiene // Journal of computational chemistry, 34 (2013), 17; 1439-1445 doi:10.1002/jcc.23270 (međunarodna recenzija, članak, znanstveni)
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22.Vazdar, Mario; Jungwirth, Pavel; Mason, PhilipAqueous Guanidinium-Carbonate Interactions by Molecular Dynamics and Neutron Scattering: Relevance to Ion-Protein Interactions // The journal of physical chemistry. B, 117 (2013), 6; 1844-1848 doi:10.1021/jp310719g (međunarodna recenzija, članak, znanstveni)
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23.Pokorna, Sarka; Jurkiewicz, Piotr; Cwiklik, Lukasz; Vazdar, Mario; Hof, MartinInteractions of monovalent salts with cationic lipid bilayers // Faraday discussions, 160 (2013), 341-358 doi:10.1039/c2fd20098h (međunarodna recenzija, članak, znanstveni)
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24.Trošelj, Pavle; Đilović, Ivica; Matković-Čalogović, Dubravka; Margetić, DavorSynthesis of Functionalized Polynorbornanes Employing 2, 5-Bis(trifluoromethyl)-1, 3, 4-oxadiazole // Journal of heterocyclic chemistry, 50 (2013), 1; 83-90 doi:10.1002/jhet.998 (međunarodna recenzija, članak, znanstveni)
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25.Trošelj, PavleSinteza funkcionaliziranih policikličkih sustava mikrovalnom tehnikom i studij njihovih interakcija receptor-supstrat, 2012., doktorska disertacija, Prirodoslono-matematički fakultet, Zagreb
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26.Štrukil, Vjekoslav; Bartolec, Boris; Portada, Tomislav; Đilović, Ivica; Halasz, Ivan; Margetić, DavorOne-pot mechanosynthesis of aromatic amides and dipeptides from carboxylic acids and amines // Chemical communications, 48 (2012), 99; 12100-12102 doi:10.1039/C2CC36613D (međunarodna recenzija, članak, znanstveni)
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27.Štrukil, Vjekoslav; Glasovac, Zoran; Đilović, Ivica; Matković-Čalogović, Dubravka; Šuman, Lidija; Kralj, Marijeta; Eckert-Maksić, MirjanaTriguanide Derivatives: Synthesis, Crystal Structure and Evaluation of the Proliferation Effect on Some Tumor Cell Lines // European journal of organic chemistry, 2012 (2012), 34; 6758-6797 doi:10.1002/ejoc.201200979 (međunarodna recenzija, članak, znanstveni)
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28.Štrukil, Vjekoslav; Margetić, Davor; Igrc, Marina Diana; Eckert-Maksić, Mirjana; Friščić, TomislavDesymmetrisation of aromatic diamines and synthesis of non-symmetrical thiourea derivatives by click-mechanochemistry // Chemical communications, 48 (2012), 78; 9705-9707 doi:10.1039/C2CC34013E (međunarodna recenzija, članak, znanstveni)
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29.Antol, Ivana; Eckert-Maksić, Mirjana; Vazdar, Mario; Ruckenbauer, Matthias; Lischka, HansQM/MM nonadiabatic decay dynamics of formamide in polar and nonpolar solvents // Physical Chemistry Chemical Physics, 14 (2012), 38; 13262-13272 doi:10.1039/C2CP41830D (međunarodna recenzija, članak, znanstveni)
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30.Štrukil, Vjekoslav; Igrc, Marina Diana; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottilloe, Cristina; Friščić, TomislavA model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents // Green chemistry, 14 (2012), 9; 2462-2473 doi:10.1039/C2GC35799B (međunarodna recenzija, članak, znanstveni)
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31.Vazdar, Mario; Pluharova, Eva; Mason, Philip; Vacha, Robert; Jungwirth, PavelIons at Hydrophobic Aqueous Interfaces: Molecular Dynamics with Effective Polarization // Journal of Physical Chemistry Letters, 3 (2012), 15; 2087-2091 doi:10.1021/jz300805b (međunarodna recenzija, članak, znanstveni)
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32.Vazdar, Mario; Uhlig, Frank; Jungwirth, PavelLike-charge Ion Pairing in Water: An ab initio Molecular Dynamics Study of Aqueous Guanidinium Cations // Journal of Physical Chemistry Letters, 3 (2012), 15; 2021-2024 doi:10.1021/jz3007657 (međunarodna recenzija, članak, znanstveni)
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33.Štrukil, Vjekoslav; Friščić, Tomislav; Eckert-Maksić, MirjanaSolvent-free quantitative synthesis of thiourea organocatalysts and anion sensors by click-mechanochemistry // Book of abstracts Challenges in Organic Chemistry and Chemical Biology (ISACS7)
Edinburgh: The Royal Society of Chemistry, 2012. (poster, međunarodna recenzija, sažetak, znanstveni) -
34.Štrukil, Vjekoslav; Fábián, L.; Reid, D. G.; Duer, M. J.; Jackson, G. J.; Eckert-Maksić, Mirjana; Friščić, Tomislav; Margetić, DavorMechanochemical synthesis of guanidine - Zinc and Cadmium metal-organic frameworks // Book of abstracts Challenges in Organic Chemistry and Chemical Biology (ISACS7)
Edinburgh: The Royal Society of Chemistry, 2012. (poster, međunarodna recenzija, sažetak, znanstveni) -
35.Margetić, Davor; Eckert-Maksić, Mirjana; Štrukil, VjekoslavDensity functional study of cimetidine complexation with metals // GECOM-CONCOORD 2012 Conference on Coordination Chemistry, Organometallic Chemistry and Catalysis / Plasseraud, Laurent (ur.).
Métabief, 2012. str. P-22 (poster, međunarodna recenzija, sažetak, znanstveni) -
36.Štrukil, Vjekoslav; Friščić, Tomislav; Eckert-Maksić, MirjanaSolvent-free quantitative synthesis of thiourea organocatalysts and anion sensors by click-mechanochemistry // GECOM-CONCOORD 2012 Conference on Coordination Chemistry, Organometallic Chemistry and Catalysis / Plasseraud, Laurent (ur.).
Métabief, 2012. str. P-20 (poster, međunarodna recenzija, sažetak, znanstveni) -
37.Vazdar, Mario; Jurkiewicz, Piotr; Hof, Martin; Jungwirth, Pavel; Cwiklik, LukaszBehavior of 4-Hydroxynonenal in Phospholipid Membranes // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 116 (2012), 22; 6411-6415 doi:10.1021/jp3044219 (međunarodna recenzija, članak, znanstveni)
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38.Margetić, Davor; Warrener, Ronald N.; Butler, Douglas N.; Jin, Chuan-MingA cascade thermal isomerisation of cyclobutane di-(carbomethoxy) D2-1, 2, 3-triazolines with intramolecular 1, 3-dipolar cycloreversion as the key step // Tetrahedron, 68 (2012), 16; 3306-3318 doi:10.1016/j.tet.2012.02.073 (međunarodna recenzija, članak, znanstveni)
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39.Štrukil, Vjekoslav; Igrc, Marina Diana; Eckert- Maksić, Mirjana; Friščić, TomislavClick mechanochemistry: quantitative synthesis of "ready to use" chiral organocatalysts by efficient two-fold thiourea coupling on vicinal diamines // Chemistry : a European journal, 18 (2012), 27; 8464-8473 doi:10.1002/chem.201200632 (međunarodna recenzija, članak, znanstveni)
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40.Kubickova, Anna; Krizek, Tomas; Coufal, Pavel; Vazdar, Mario; Wernersson, Erik; Heyda, Jan; Jungwirth, PavelOvercharging in biological systems: Reversal of electrophoretic mobility of aqueous polyaspartate by multivalent cations // Physical Review Letters, 108 (2012), 18; 186101-1 doi:10.1103/PhysRevLett.108.186101 (međunarodna recenzija, članak, znanstveni)
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41.Šekutor, Marina; Glasovac, Zoran; Mlinarić-Majerski, KataMass spectral fragmentation of adamantane-substituted guanylhydrazones // European-Winter School on Physical Organic Chemistry / e-WISPOC-2012
Brixen, 2012. (poster, međunarodna recenzija, sažetak, znanstveni) -
42.Friščić, Tomislav; Halasz, Ivan; Štrukil, Vjekoslav; Eckert-Maksić, Mirjana; Dinnebier, Robert E.Clean and efficient synthesis using mechanochemistry : coordination polymers, open metal-organic frameworks and metallodrugs // Croatica chemica acta, 85 (2012), 3; 367-378 doi:10.5562/cca2014 (međunarodna recenzija, pregledni rad, znanstveni)
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43.Margetić, Davor; Briš, AnamarijaMicrowave assisted furan cycloadditions: quantum-chemical reactivity assessment // Advances in Chemistry Research / Taylor, James, C. (ur.).
New York (NY): Nova Science Publishers, 2012. str. 104-120 -
44.Trošelj, Pavle; Briš, Anamarija; Murata, Yasujiro; Margetić, DavorStructural evidence for the arc-shaped topology of hetero[5]polynorbornanes // Structural chemistry, 23 (2012), 3; 791-799 doi:10.1007/s11224-011-9925-6 (međunarodna recenzija, članak, znanstveni)
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45.Štrukil, Vjekoslav; Đilović, Ivica; Matković-Čalogović, Dubravka; Saame, Jaan; Leito, Ivo; Šket, Primož; Plavec, Janez; Eckert-Maksić, MirjanaMolecular Structure and Acid/Base Properties of 1, 2-dihydro-1, 3, 5-triazine Derivatives // New journal of chemistry, 36 (2012), 1; 86-96 doi:10.1039/C1NJ20595A (međunarodna recenzija, članak, znanstveni)
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46.Barbatti, Mario; Ruckenbauer, Matthias; Szymczak, Jaroslaw, J.; Sellner, Bernhard; Vazdar, Mario; Antol, Ivana; Eckert-Maksić, Mirjana; Lischka, HansModel systems for dynamics of pi-conjugated biomolecules in excited states // Handbook of Computational Chemistry / Leszczynski, Jerzy (ur.).
Berlin : Heidelberg: Springer, 2012. str. 1175-1213 -
47.Varga, KatarinaPriprava, struktura i svojstva novih derivata 1, 2- dihidro-1, 3, 5-triazina, 2011., diplomski rad, diplomski, Prirodoslovno-matematički fakultet, Zagreb
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48.Margetić, Davor; Štrukil, Vjekoslav; Igrc, Marina Diana; Fábián, Lászlo; Eckert-Maksić, Mirjana; Friščić, TomislavEnvironmentally-friendly organic chemistry without bulk organic solvent: mechanochemical synthesis of thioureas // International Symposium on Surface Science (ISSS-6), Abstracts / Tomi Hashizume (ur.).
Tokyo: The Surface Science Society of Japan, 2011. str. 337-337 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
49.Margetić, Davor; Štrukil, Vjekoslav; Igrc, Marina Diana; Fábián, Laszlo; Eckert-Maksić, Mirjana; Friščić, TomislavEnvironmentally-friendly organic chemistry without bulk organic solvent: mechanochemical synthesis of thioureas // International Symposium on catalysis and Fine Chemicals 2011, Programs and abstracts / Kotohiro Nomura (ur.).
Nara: Catalysis society of Japan, 2011. str. 241-241 (poster, međunarodna recenzija, sažetak, ostalo) -
50.Margetić, DavorMicrowave Assisted Cycloaddition Reactions. New York (NY): Nova Science Publishers, 2011 (monografija)
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51.Glasovac, Zoran; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.Influence of different dielectric continuum solvent models on the accuracy of pKa Values // The 13th European Symposium on Organic Reactivity - Book of Abstracts / Burk, Peeter (ur.).
Tartu: 978-9985-4-0670-0, 2011. (poster, međunarodna recenzija, sažetak, znanstveni) -
52.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, Mario; Ruckenbauer, Mattias; Lischka, HansEffect of environment on the nonadiabatic excited-state dynamics of formamide // The 13th European Symposium on Organic Reactivity - Book of Abstracts / Burk, Peeter (ur.).
Tartu: University of Tartu, Institute of Chemistry, 2011. (predavanje, međunarodna recenzija, sažetak, znanstveni) -
53.Štrukil, Vjekoslav; Igrc, Marina Diana; Friščić, Tomislav; Eckert-Maksić, MirjanaA Green Route Towards Sustainable Organic Synthesis - Exploiting the Power of Mechanochemistry // 17th European Symposium on Organic Chemistry / Orfanopoulos, Michael (ur.).
Hersonissos: University of Crete, 2011. (poster, međunarodna recenzija, sažetak, znanstveni) -
54.Štrukil, Vjekoslav; Igrc, Marina Diana; Fábián, Lászlo; Eckert-Maksić, Mirjana; Friščić, TomislavOrganic Chemistry Without Bulk Organic Solvent - Mechanochemical Opportunities for an Environmentally-Friendly Research // The 2nd Symposium on Mechanochemistry and Solvent-free Synthesis / James, Stuart (ur.).
Belfast: Queen’s University of Belfast, 2011. str. 26-26 (poster, međunarodna recenzija, sažetak, znanstveni) -
55.Štrukil, Vjekoslav; Fábián, László; Reid, David G.; Duer, Melinda J.; Jackson, Graham J.; Eckert-Maksić, Mirjana; Friščić, TomislavMechanochemical synthesis of zinc and cadmium metal-organic frameworks // Znanstveni susreti 3. vrste
Zagreb, 2011. (poster, domaća recenzija, sažetak, stručni) -
56.Jušinski, Iva; Glasovac, Zoran; Schroeder, Detlef; Eckert-Maksić, MirjanaIstraživanje protoniranih bisgvanidina i bisbigvanida spektrometrijom masa // Znanstveni susreti 3. vrste
Zagreb, 2011. (poster, domaća recenzija, sažetak, stručni) -
57.Pavošević, Fabijan; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.Bond-stretch isomerism in 1, 3-disilabicyclo[1.1.0]butane by the computational chemistry approach // Ninth Triennial Congress of the World Association ot Theoretical and Computational Chemists / Yáñez, Manuel ; Mó, Otilia (ur.).
Santiago de Compostela, 2011. (poster, međunarodna recenzija, sažetak, znanstveni) -
58.Eckert-Maksić, MirjanaFormamide as the model compound for photodissociation of the peptide bond // Ninth Triennial Congress of the World Association ot Theoretical and Computational Chemists / Yáñez, Manuel ; Mó, Otilia (ur.).
Santiago de Compostela, 2011. (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) -
59.Antol, Ivana; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.The influence of multiple fluorination on alleged valence isomerisation of [2.2.2]propellanes // Ninth Triennial Congress of the World Association ot Theoretical and Computational Chemists / Yáñez, Manuel ; Mó, Otilia (ur.).
Santiago de Compostela, 2011. str. PI-173 (poster, međunarodna recenzija, sažetak, znanstveni) -
60.Štrukil, Vjekoslav; Fábián, László; Reid, David G.; Duer, Melinda J.; Jackson, Graham J.; Eckert-Maksić, Mirjana; Friščić, TomislavMechanochemical Synthesis of Zinc and Cadmium Metal-Organic Frameworks – The Story of Dimensionality and Solid-State Reactivity // XX International Conference on the Chemistry of the Organic Solid State / Guru Row, T. N. (ur.).
Bangalore: Indian Institute of Science, 2011. (poster, međunarodna recenzija, sažetak, znanstveni) -
61.Cwiklik, Lukasz; Aquino, Adelia; Vazdar, Mario; Jurkiewicz, Piotr; Pittner, Jiri; Hof, Martin; Lischka, HansAbsorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study // Journal of Physical Chemistry. A, 115 (2011), 41 (S.I.); 11428-11437 doi:: 10.1021/jp205966b (međunarodna recenzija, članak, znanstveni)
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62.Wernersson, Erik; Heyda, Jan; Vazdar, Mario; Lund, Mikael; Mason, Philip; Jungwirth, PavelOrientational Dependence of the Affinity of Guanidinium Ions to the Water Surface // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 115 (2011), 43; 12521-12526 doi:10.1021/jp207499s (međunarodna recenzija, članak, znanstveni)
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63.Faraji, Shirin; Vazdar, Mario; Reddy, Sivaranjana V.; Eckert- Maksić, Mirjana; Lischka, Hans; Koeppel, HorstAb initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole // The Journal of chemical physics, 135 (2011), 15; 154310, 13 doi:10.1063/1.3651536 (međunarodna recenzija, članak, znanstveni)
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64.Vazdar, Mario; Vymetal, Jiri; Heyda, Jan; Vondrasek, Jiri; Jungwirth, PavelLike-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations // Journal of Physical Chemistry. A, 115 (2011), 41; 11193-11201 doi:10.1021/jp203519p (međunarodna recenzija, članak, znanstveni)
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65.Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Manoj, Kochunnoonny; Hara, HideyukiPhotoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state. Inverted PI_N―SIGMA_N occupational stability of amidyl radicals // Journal of Physical Chemistry. A, 115 (2011), 26; 7834-7848 doi:10.1021/jp203771c (međunarodna recenzija, članak, znanstveni)
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66.Štrukil, Vjekoslav; Eckert-Maksić, MirjanaKonformacijska izomerija i tautomerija u 1, 2-dihidro-1, 3, 5-triazinima – Eksperimentalni i teorijski studij // XXII. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka / Tomašić, Vesna ; Maduna Valkaj, Karolina (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa: Hrvatsko kemijsko društvo, 2011. (poster, domaća recenzija, sažetak, znanstveni) -
67.Jušinski, Iva; Glasovac, Zoran; Schroeder, Detlef; Eckert-Maksić, MirjanaIstraživanje protoniranih bisgvanidina i bisbigvanida spektrometrijom masa // XXII. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka / Tomašić, Vesna ; Maduna Valkaj, Karolina (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa: Hrvatsko kemijsko društvo, 2011. (poster, domaća recenzija, sažetak, znanstveni) -
68.Trošelj, Pavle; Briš, Anamarija; Eckert-Maksić, Mirjana; Margetić, DavorCikloadicijske reakcije potpomognute mikrovalnim zračenjem u sintezi polinorbornana // XXII. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka / Tomašić, Vesna ; Maduna Valkaj, Karolina (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa: Hrvatsko kemijsko društvo, 2011. (predavanje, domaća recenzija, sažetak, znanstveni) -
69.Štrukil, Vjekoslav; Fábián, László; Reid, David G.; Duer, Melinda J.; Jackson, Graham J.; Eckert-Maksić, Mirjana; Friščić, TomislavUsusret ekološki prihvatljivom laboratoriju –Primjer metal-organske mehanokemijske sinteze // XXII. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka / Tomašić, Vesna ; Maduna Valkaj, Karolina (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa: Hrvatsko kemijsko društvo, 2011. (predavanje, domaća recenzija, sažetak, znanstveni) -
70.Margetić, Davor; Zrinski Antonac, Irena; Glasovac, Zoran; Eckert-Maksić, Mirjana; Maksimović, LjiljanaReactions of Dimethyl Carbonate with aliphatic Amines under High Pressure // Synthetic communications, 41 (2011), 15; 2283-2289 doi:10.1080/00397911.2010.501644 (međunarodna recenzija, članak, znanstveni)
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71.Škorić, Irena; Pavošević, Fabijan; Vazdar, Mario; Marinić, Željko; Šindler-Kulyk, Marija; Eckert-Maksić, Mirjana; Margetić, DavorThermal reaction of [3,4]-benzo-8-substituted-3Z,5Z,7E-octatetraenes and quantum-chemical study of the (8π,6π)-electrocyclisation // Organic & biomolecular chemistry, 9 (2011), 19; 6771-6778 doi:10.1039/c1ob05802a (međunarodna recenzija, članak, znanstveni)
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72.Margetić, Davor; Trošelj, Pavle; Yasujiro, MurataThe microwave-accelerated ruthenium catalyzed [2π+2π] cycloadditions of dimethylacetylene dicarboxylate with norbornenes // Synthetic communications, 41 (2011), 8; 1239-1246 doi:10.1080/00397911.2010.481744 (međunarodna recenzija, članak, znanstveni)
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73.Eckert-Maksić, MirjanaSvečana proslava 60. obljetnice Instituta Ruđer Bošković // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 59 (2010), 12; 624-626 (podatak o recenziji nije dostupan, osvrt, ostalo)
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74.Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Pavošević, Fabijan; Kochunnoonny, Manoj; Glasovac, ZoranPhotoinduced rearrangement of N-chlorinated acetanilides and benzanilides to chloroaromatic amides in the solid state: Inverted relative stability of PI_N and SIGMA_N amidyl radicals // AsCA 2010 The 10th Conference of the Asian Crystallographic Association Program / Se Won Suh (ur.).
Busan: SungKyunKwan University, 2010. str. MS05-P76 (poster, međunarodna recenzija, sažetak, znanstveni) -
75.Štrukil, VjekoslavPriprava, struktura i reaktivnost novih derivata trigvanida, 2010., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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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)
