Pregled po CROSBI profilu: Ivana Antol (CROSBI Profil: 25638, MBZ: 232913)
Pronađeno 88 radova
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26.Cindro, Nikola; Antol, Ivana; Mlinarić-Majerski, Kata; Halasz, Ivan; Wan, Peter; Basarić, NikolaReactivity of cations and zwitterions formed in photochemical and acid-catalyzed reactions from m-hydroxycycloalkyl substituted phenol derivatives // Journal of organic chemistry, 80 (2015), 24; 12420-12430 doi:10.1021/acs.joc.5b02297 (međunarodna recenzija, članak, znanstveni)
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27.Šagud, Ivana; Antol, Ivana; Marinić, Željko; Šindler-Kulyk, MarijaPhotoinduced Intramolecular formal [4 + 2] Cycloaddition of Aryl-Substituted o-Vinylstyryl-2-oxazoles To Form Benzo[f]quinoline Derivatives: Experimental Results and Theoretical Interpretation // The Journal of Organic Chemistry, 80 (2015), 9535-9541 doi:10.1021/acs.joc.5b01504 (međunarodna recenzija, članak, znanstveni)
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28.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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29.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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30.Šumanovac Ramljak, Tatjana; Sohora, Margareta; Antol, Ivana; Kontrec, Darko; Basarić, Nikola; Mlinarić-Majerski, KataMemory of chirality in the phthalimide photocyclization of adamantane dipeptides // Tetrahedron letters, 55 (2014), 30; 4078-4081 doi:10.1016/j.tetlet.2014.05.118 (međunarodna recenzija, članak, znanstveni)
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31.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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32.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) -
33.Veljković, Jelena; Antol, Ivana; Basarić, Nikola; Smrečki, Vilko; Molčanov, Krešimir; Müller, Norbert; Mlinarić-Majerski, KataAtropisomerism in 1-(2-Adamantyl)naphthalene Derivatives // Journal of molecular structure, 1046 (2013), 101-109 doi:10.1016/j.molstruc.2013.04.027 (međunarodna recenzija, članak, znanstveni)
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34.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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35.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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36.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 -
37.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) -
38.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) -
39.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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40.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) -
41.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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42.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) -
43.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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44.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) -
45.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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46.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) -
47.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) -
48.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)
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49.Antol, Ivana; Barbatti, Mario; Eckert-Maksić, Mirjana; Lischka, HansQuantum chemical calculations of electronically excited states: formamide, its protonated form and alkali cation complexes as case studies // Monatshefte für Chemie, 139 (2008), 4; 319-328 doi:10.1007/s00706-007-0803-2 (međunarodna recenzija, članak, znanstveni)
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50.Antol, Ivana; Eckert-Maksić, Mirjana; Barbatti, Mario; Lischka, HansSimulation of the photodeactivation of formamide in the n(O)-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics study // The Journal of chemical physics, 127 (2007), 23; 234303, 8 doi:10.1063/1.2804862 (međunarodna recenzija, članak, znanstveni)
