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Glasovac, Zoran; Margetić, Davor; Antol, Ivana | Molecular and Electronic Structure and Properties of the Single Benzene‐Based Fluorophores Containing Guanidine Subunit // Journal of computational chemistry, 46 (2025), 4; 70054, 11. doi: 10.1002/jcc.70054
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Antol, Ivana; Štrbac, Petar; Murata, Yasujiro; Margetić, Davor | Theoretical Study of the Mechanism of the Formation of Azomethine Ylide from Isatine and Sarcosine and Its Reactivity in 1,3-Dipolar Cycloaddition Reaction with 7-Oxabenzonorbornadiene // International journal of molecular sciences, 25 (2024), 12; 6524, 12. doi: 10.3390/ijms25126524
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Takano, Ma‐aya; Antol, Ivana; Abe, Manabu | Substituent Effects on the Electronic Ground State (Singlet versus Triplet) of Indenyl Cations: DFT and CASPT2 Studies // European journal of organic chemistry, 27 (2024), 7; e202301226, 6. doi: 10.1002/ejoc.202301226
doichemistry-europe.onlinelibrary.wiley.comfulir.irb.hr
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Mušković, Martina ; Džeba, Iva ; Antol, Ivana ; Basarić, Nikola ; Malatesti, Nela | Photophysical properties of 5-(4-acetamidophenyl)-10,15,20-tris(N-methylpyridinium-3-yl)porphyrin trichloride and its Zn(II) complex // Journal of photochemistry and photobiology. A, Chemistry, 444 (2023), 114939, 11. doi: 10.1016/j.jphotochem.2023.114939
doiwww.sciencedirect.com
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Antol, Ivana ; Glasovac, Zoran ; Margetić, Davor | Mechanistic DFT Study of 1,3-Dipolar Cycloadditions of Azides with Guanidine // Molecules, 28 (2023), 5; 2342, 12. doi: 10.3390/molecules28052342
doiwww.mdpi.comfulir.irb.hr
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Antol, Ivana ; Glasovac, Zoran ; Murata, Yasujiro ; Hashikawa, Yoshifumi ; Margetić, Davor | Consecutive Utilization of Mechanochemical and Microwave Methods for the Synthesis of Boc-2- amino-quinazolin-4(3H)-ones and DFT Study of Mechanism 6π-Diazaelectrocyclization Process // ChemistrySelect, 7 (2022), 13; e202200633, 12. doi: 10.1002/slct.202200633
doichemistry-europe.onlinelibrary.wiley.com
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Murata, Ryo ; Wang, Zhe ; Miyazawa, Yuki ; Antol, Ivana ; Yamago, Shigeru ; Abe, Manabu | SOMO–HOMO Conversion in Triplet Carbenes // Organic letters, 23 (2021), 13; 4955-4959. doi: 10.1021/acs.orglett.1c01137
doipubs.acs.orgpubs.acs.orgdoi.org
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Miyazawa, Yuki ; Wang, Zhe ; Matsumoto, Misaki ; Hatano, Sayaka ; Antol, Ivana ; Kayahara, Eiichi ; Yamago, Shigeru ; Abe, Manabu | 1,3-Diradicals Embedded in Curved Paraphenylene Units: Singlet versus Triplet State and In-Plane Aromaticity // Journal of the American Chemical Society, 143 (2021), 19; 7426-7439. doi: 10.1021/jacs.1c01329
doipubs.acs.orgdoi.org
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Zlatić, Katarina ; Cindrić, Matej ; Antol, Ivana ; Uzelac, Lidija ; Mihaljević, Branka ; Kralj, Marijeta ; Basarić, Nikola | Wavelength dependent photochemistry of BODIPY-phenols and their applications in fluorescent labeling of proteins // Organic & biomolecular chemistry, 19 (2021), 22; 4891-4903. doi: 10.1039/D1OB00278C
doidoi.orgpubs.rsc.org
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Zlatić, Katarina ; Antol, Ivana ; Uzelac, Lidija ; Mikecin Dražić, Ana-Matea ; Kralj, Marijeta ; Bohne, Cornelia ; Basarić, Nikola | Labeling of Proteins by BODIPY-Quinone Methides utilizing Anti- Kasha Photochemistry // ACS applied materials & interfaces, 12 (2020), 1; 347-351. doi: 10.1021/acsami.9b19472
doipubs.acs.orgfulir.irb.hr
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Antol, Ivana ; Barešić, Luka ; Glasovac, Zoran ; Margetić, Davor | Computational Study of Electronic Influence of Guanidine Substitution on Diels-Alder Reactions of Heterocyclic Dienes // Croatica chemica acta, 92 (2019), 2; 279-286. doi: 10.5562/cca3570
doihrcak.srce.hrdoi.orgfulir.irb.hr
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Matsumoto, Misaki ; Antol, Ivana ; Abe, Manabu | Curve Effect on Singlet Diradical Contribution in Kekulé-type Diradicals: A Sensitive Probe for Quinoidal Structure in Curved π-Conjugated Molecules // Molecules, 24 (2019), 1; 209, 8. doi: 10.3390/molecules24010209
doiwww.mdpi.comfulir.irb.hr
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Glasovac, Zoran ; Barešić, Luka ; Antol, Ivana ; Margetić, Davor | Benzoylguanidines as the Anion Responsive Systems // ChemPlusChem, 83 (2018), 9; 845-854. doi: 10.1002/cplu.201800247
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Škalamera, Đani ; Antol, Ivana ; Mlinarić-Majerski, Kata ; Vančik, Hrvoj ; Phillips, David Lee ; Ma, Jiani ; Basarić, Nikola | Ultrafast Adiabatic Photodehydration of o-hydroxymethylphenol and Formation of Quinone Methide // Chemistry : a European journal, 2018 (2018), 24; 9426-9435. doi: 10.1002/chem.201801543
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Škalamera, Đani ; Blažek Bregović, Vesna ; Antol, Ivana ; Bohne, Cornelia ; Basaric, Nikola | Hydroxymethylaniline photocages for carboxylic acids and alcohols // Journal of organic chemistry, 82 (2017), 23; 12554-12568. doi: 10.1021/acs.joc.7b02314
doipubs.acs.org
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Antol, Ivana ; Eckert-Maksić, Mirjana | The 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
doihrcak.srce.hr
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Antol, Ivana ; Margetić, Davor | A DFT study of endocyclic allenes: unprecedentedly superbasic hydrocarbons // New journal of chemistry, 40 (2016), 8191-8193. doi: 10.1039/C6NJ00623J
doipubs.rsc.org
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Antol, Ivana ; Glasovac, Zoran ; Margetić, Davor ; Crespo-Otero, Rachel ; Barbatti, Mario | Insights on the Auxochromic Properties of Guanidinium Group // The journal of physical chemistry. A, 120 (2016), 36; 7088-7100. doi: 10.1021/acs.jpca.6b05180
doipubs.acs.org
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Cindro, Nikola ; Antol, Ivana ; Mlinarić-Majerski, Kata ; Halasz, Ivan ; Wan, Peter ; Basarić, Nikola | Reactivity 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
doipubs.acs.org
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Šagud, Ivana ; Antol, Ivana ; Marinić, Željko ; Šindler-Kulyk, Marija | Photoinduced Intramolecular formal [4 + 2] Cycloaddition of Aryl-Substituted o-Vinylstyryl-2-oxazoles To Form Benzo[f]quinoline Derivatives: Experimental Results and Theoretical Interpretation // Journal of organic chemistry, 80 (2015), 9535-9541. doi: 10.1021/acs.joc.5b01504
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Štrukil, Vjekoslav ; Antol, Ivana ; Glasovac, Zoran | The 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
doihrcak.srce.hr
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Antol, Ivana ; Glasovac, Zoran ; Crespo-Otero, Rachel ; Barbatti, Mario | Guanidine and guanidinium cation in the excited state-theoretical investigation // The Journal of chemical physics, 141 (2014), 7; 074307, 11. doi: 10.1063/1.4892569
doiaip.scitation.org
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Šumanovac Ramljak, Tatjana ; Sohora, Margareta ; Antol, Ivana ; Kontrec, Darko ; Basarić, Nikola ; Mlinarić-Majerski, Kata | Memory of chirality in the phthalimide photocyclization of adamantane dipeptides // Tetrahedron letters, 55 (2014), 30; 4078-4081. doi: 10.1016/j.tetlet.2014.05.118
doiwww.sciencedirect.com
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Eckert-Maksić, Mirjana ; Antol, Ivana ; Vazdar, Mario | 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
doiwww.sciencedirect.com
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Veljković, Jelena ; Antol, Ivana ; Basarić, Nikola ; Smrečki, Vilko ; Molčanov, Krešimir ; Müller, Norbert ; Mlinarić-Majerski, Kata | Atropisomerism in 1-(2-Adamantyl)naphthalene Derivatives // Journal of molecular structure, 1046 (2013), 101-109. doi: 10.1016/j.molstruc.2013.04.027
doiauthors.elsevier.comdx.doi.org
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Antol, Ivana | Photodeactivation paths in norbornadiene // Journal of computational chemistry, 34 (2013), 17; 1439-1445. doi: 10.1002/jcc.23270
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Antol, Ivana ; Eckert-Maksić, Mirjana ; Vazdar, Mario ; Ruckenbauer, Matthias ; Lischka, Hans | QM/MM nonadiabatic decay dynamics of formamide in polar and nonpolar solvents // PCCP. Physical chemistry chemical physics, 14 (2012), 38; 13262-13272. doi: 10.1039/C2CP41830D
doipubs.rsc.org
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Glasovac, Zoran ; Antol, Ivana ; Vazdar, Mario ; Margetić, Davor | Zwitterionic 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
doilink.springer.comdoi.org
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Eckert-Maksić, Mirjana ; Antol, Ivana | Study 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
doipubs.acs.org
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Antol, Ivana ; Eckert-Maksić, Mirjana ; Ončák, Milan ; Slavíček, Petr ; Lischka, Hans | Photodissociation 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
doicccc.uochb.cas.cz
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Antol, Ivana ; Vazdar, Mario ; Barbatti, Mario ; Eckert-Maksić, Mirjana | The 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
doiwww.sciencedirect.comdoi.org
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Antol, Ivana ; Eckert-Maksić, Mirjana ; Barbatti, Mario ; Lischka, Hans | Simulation 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
doiaip.scitation.org
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Antol, Ivana ; Barbatti, Mario ; Eckert-Maksić, Mirjana ; Lischka, Hans | Quantum 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
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Antol, Ivana ; Eckert-Maksić, Mirjana ; Lischka, Hans ; Maksić, Zvonimir B. | [2.2.2]Propellane Isomerization via Grob Rearrangement - An Ab Initio MR-AQCC Study // European journal of organic chemistry, 2007 (2007), 19; 3173-3178-x
Antol, Ivana ; Eckert-Maksić, Mirjana ; Lischka, Hans | Ab Initio MR-CISD Study of Gas-Phase Basicity of Formamide in the First Excited Singlet State // The journal of physical chemistry. A, 108 (2004), 46; 10317-10325-x
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Antol, Ivana ; Glasovac, Zoran ; Eckert-Maksić, Mirjana | Ab Initio MO and DFT Study of syn-Sesquinorbornatrienyl Dication and its Isoelectronic Boron Analogue // New journal of chemistry, 28 (2004), 7; 880-886-x
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Antol, Ivana ; Eckert-Maksić, Mirjana ; Lischka, Hans ; Maksić, Zvonimir B. | On the Bond-Stretch Isomerism in Benzo[1, 2:4, 5]dicyclobutadiene System - An Ab Initio MR-AQCC Study // ChemPhysChem, 5 (2004), 975-981-x
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Antol, Ivana ; Eckert-Maksić, Mirjana ; Klessinger, Martin | Ab initio study of excited state protonation of monosubstituted benzenes // Journal of molecular structure. Theochem, 664-665 (2003), 309-317-x
Antol, Ivana ; Eckert-Maksić, Mirjana ; Mueller, Thomas ; Dallos, Michal ; Lischka, Hans | Valence and Rydberg states of protonated formaldehyde // Chemical physics letters, 374 (2003), 5-6; 587-593-x
Eckert-Maksić, Mirjana ; Antol, Ivana ; Margetić, Davor ; Glasovac, Zoran | Syn-Sesquinorbornenyl carbocations and their boron analogues: an ab initio and DFT study // Journal of the Chemical Society. Perkin Transactions 2 (2001), - (2002), 12; 2057-2063-x
Margetić, Davor ; Warrener, Ron W. ; Eckert-Maksić, Mirjana ; Antol, Ivana ; Glasovac, Zoran | A DFT Study of Pyramidalized Alkenes: 7-Oxasesquinorbornenes and 7, 7'-Dioxasesquinorbornenes // Theoretical chemistry accounts, 109 (2003), 4; 182-189-x
Antol, Ivana ; Glasovac, Zoran ; Hare, Michael ; Eckert-Maksić, Mirjana ; Kass, Steven | On the Acidity of Cyclopropanaphthalenes. Gas Phase and Computational Studies // International journal of mass spectrometry, 222 (2003), 1; 11-26-x
Eckert-Maksić, Mirjana ; Antol, Ivana ; Klessinger, Martin ; Maksić, Zvonimir B. | The Proton Affinity of Some Substituted Naphtalenes // Journal of physical organic chemistry, 12 (1999), 597-604-x
Antol, Ivana ; Eckert-Maksić, Mirjana ; Margetić, Davor ; Maksić, Zvonimir B. ; Kowski, Klaus ; Rademacher, Paul | Molecular and electronic structure and gas-phase pyrolitic generation of 7,7'-dioxasesquinorbornenes // European journal of organic chemistry, - (1998), 7; 1403-1408-x
Kovačević, Davor ; Kallay, Nikola ; Antol, Ivana ; Pohlmeier, Andreas ; Lewandowski, Hans ; Narres, Hans-Dieter | The Use of Electrokinetic Potential in the Interpretation of Adsorption Phenomena. Adsorption of Salicylic Acid on Hematite // Colloids and surfaces. A, Physicochemical and engineering aspects, 140 (1998), 1-3; 261-267-x
Eckert-Maksić, Mirjana ; Klessinger, Martin ; Antol, Ivana ; Maksić, Zvonimir B. | Additivity of proton affinities in disubstituted naphthalenes // Journal of physical organic chemistry, 10 (1997), 6; 415-419-x
