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)
