Pregled po CROSBI profilu: Tomislav Piteša (CROSBI Profil: 35337, MBZ: 372970)
Pronađeno 29 radova
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1.Tokić, Nina; Piteša, Tomislav; Sapunar, Marin; Došlić, NađaWhat Can We Learn by Comparing Surface Hopping Algorithms? // Computational Chemistry Day 2022 : Book of Abstracts
Zagreb: Ruđer Bošković Institute, 2022. str. 26-26 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni) -
2.Tokić, Nina; Piteša, Tomislav; Sapunar, Marin; Došlić, NađaWhat Can We Learn by Comparing Surface Hopping Algorithms? // 18th Central European Symposium on Theoretical Chemistry 2022 : Program and Book of Abstracts
Balatonszárszó, Mađarska, 2022. str. 93-93 (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
3.Bedeković, Nikola; Piteša, Tomislav; Eraković, Mihael; Stilinović, Vladimir; Cinčić, DominikAnticooperativity of Multiple Halogen Bonds and Its Effect on Stoichiometry of Cocrystals of Perfluorinated Iodobenzenes // Crystal growth & design, 22 (2022), 4; 2644-2653 doi:10.1021/acs.cgd.2c00077 (međunarodna recenzija, članak, znanstveni)
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4.Vuković, Vedran; Piteša, Tomislav; Jelsch, Christian; Wenger, Emmanuel; Molčanov, KrešimirAn unusual intermolecular interaction between a lone pair and an electron-rich π-electron system of a quinoid dianion // Crystal growth & design, 21 (2021), 10; 5651-5658 doi:10.1021/acs.cgd.1c00492 (međunarodna recenzija, članak, znanstveni)
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5.Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, PieroMixed quantum-classical approach to the simulation and assignment of the time-resolved photoelectron spectra // MD-GAS COST Action (CA18212): 2nd General Meeting
Virtualno (online), 2021. (predavanje, neobjavljeni rad, znanstveni) -
6.Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, PieroAb initio simulation oftime-resolved photoelectron spectra by the classical doorway-window approach: a case study of B2u(ππ∗)-excited pyrazine // Light Induced Processes in Physical, Chemical, and Biological Systems
Virtualno (online), 2021. (predavanje, neobjavljeni rad, znanstveni) -
7.Piteša, Tomislav; Došlić, NađaAb initio simulation of time-resolved photoelectron spectra of B2u(ππ∗)-excited pyrazine from the surface hopping dynamics // Virtual Winter School on ComputationalChemistry
Virtualno (online), 2021. (predavanje, neobjavljeni rad, znanstveni) -
8.Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, PieroCombined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine // Journal of chemical theory and computation, 17 (2021), 8; 5098-5109 doi:10.1021/acs.jctc.1c00396 (međunarodna recenzija, članak, znanstveni)
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9.Bedeković, Nikola; Piteša, Tomislav; Eraković, Mihael; Stilinović, Vladimir; Cinčić, DominikTopicity of 1,3,5-triiodo-2,4,6-trifluorobenzene vs. basicity of pyridine derivatives as halogen bond acceptors // Virtual ISXB4 : 4th International Symposium on Halogen Bonding : Programme & Abstract Book / Esterhuysen, Catharine ; Haynes, Delia ; Malgas, Rehana ; Báthori, Nikoletta ; Dillen, Jan ; Venter, Gerhard ; Botha, Thereza (ur.).
Stellenbosch: Stellenbosch University, 2020. str. 204-204 (poster, sažetak, znanstveni) -
10.Nemec, Vinko; Piteša, Tomislav; Golenić, Neven; Cinčić, DominikHalogen Bonded Cocrystals of Two Tautomers of the Imine Derived from 2-hydroxy-1- naphthaldehyde and 3-aminopyridine // 4th International Symposium on Halogen Bonding - Programme & Abstract Book
Stellenbosch, Južnoafrička Republika; online, 2020. str. 151-151 (poster, sažetak, znanstveni) -
11.Nemec, Vinko; Piteša, Tomislav; Friščić, Tomislav; Cinčić, DominikRecent strategies for metal-organic cocrystal engineering — imine ligands with peripherally located carbonyl or morpholinyl fragment oxygen atoms as halogen bond acceptors // CEMWOQ 6.5 - Program
online, 2020. str. 125-125 (poster, sažetak, znanstveni) -
12.Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Bohne, Cornelia; Basarić, Nikola; Došlić, NađaAnti-Kasha nitrogen photoelimination from diazoalkanes // Book of Abstracts
Zagreb, Hrvatska, 2020. str. 47-47 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni) -
13.Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Bohne, Cornelia; Basarić, Nikola; Došlić, NađaPhotoinduced Nitrogen Elimination from Diazoalkanes // Knjiga sažetaka
Zagreb, Hrvatska, 2020. str. 121-121 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni) -
14.Nemec, Vinko; Piteša, Tomislav; Friščić, Tomislav; Cinčić, DominikThe Morpholinyl Oxygen Atom as an Acceptor Site for Halogen-Bonded Cocrystallization of Organic and Metal–Organic Units // Crystal growth & design, 20 (2020), 6; 3617-3624 doi:10.1021/acs.cgd.0c00520 (međunarodna recenzija, članak, znanstveni)
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15.Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Basarić, Nikola; Došlić, NađaPhotoelimination of Nitrogen from Diazoalkanes: Involvement of Higher Excited Singlet States in the Carbene Formation // Journal of the American Chemical Society, 142 (2020), 21; 9718-9724 doi:10.1021/jacs.0c02221 (međunarodna recenzija, članak, znanstveni)
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16.Nemec, Vinko; Piteša, Tomislav; Cinčić, DominikKokristali tautomera imina izvedenog iz 2- hidroksi-1-naftaldehida i 3-aminopiridina s 1,3- dijodtetrafluorbenzenom // III. simpozij supramolekulske kemije - Knjiga sažetaka / Frkanec, Leo ; Namjesnik, Danijel ; Tomišić, Vladislav (ur.).
Zagreb: Institut Ruđer Bošković, 2019. str. 19-19 (poster, domaća recenzija, sažetak, znanstveni) -
17.Alešković, Marija; Piteša, Tomislav; Becker, Kristin; Bohne, Cornelia; Basarić, Nikola; Došlić, NađaAnti-Kasha nitrogen photoelimination from diazoalkanes // 17th Central European Symposium on Theoretical Chemistry, Book of Abstracts
Stadtschlaining, Austrija, 2019. str. 86-86 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni) -
18.Sapunar, Marin; Piteša, Tomislav; Davidović, Davor; Došlić, NađaHighly Efficient Algorithms for CIS Type Excited State Wave Function Overlaps // Journal of chemical theory and computation, 15 (2019), 6; 3461-3469 doi:10.1021/acs.jctc.9b00235 (međunarodna recenzija, članak, znanstveni)
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19.Stilinović, Vladimir; Grgurić, Toni; Piteša, Tomislav; Nemec, Vinko; Cinčić, DominikBifurcated and Monocentric Halogen Bonds in Cocrystals of Metal(II) Acetylacetonates with p-Dihalotetrafluorobenzenes // Crystal Growth & Design, 19 (2019), 2; 1245-1256 doi:10.1021/acs.cgd.8b01659 (međunarodna recenzija, članak, znanstveni)
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20.Piteša, Tomislav; Stilinović, Vladimir; Ljubić, Ivan; Nemec, Vinko; Cinčić, DominikStructural and DFT study of pyridine and imine nitrogen atoms as halogen bond acceptors: interplay of halogen bonds in the solid state // The Twenty-Sixth Croatian - Slovenian Crystallographic Meeting - Book of abstracts and Programme / Matković-Čalogović, Dubravka ; Popović, Stanko ; Skoko, Željko (ur.).
Zagreb: Croatian Academy of Sciencies and Arts, Croatian Crystallographic Association, 2018. str. 31-31 (predavanje, sažetak, znanstveni) -
21.Bedeković, Nikola; Stilinović, Vladimir; Piteša, TomislavAromatic versus Aliphatic Carboxyl Group as a Hydrogen Bond Donor in Salts and Cocrystals of an Asymmetric Diacid and Pyridine Derivatives // Crystal growth & design, 17 (2017), 11; 5732-5743 doi:10.1021/acs.cgd.7b00746 (međunarodna recenzija, članak, znanstveni)
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22.Piteša, Tomislav; Stilinović, Vladimir; Ljubić, Ivan; Nemec, Vinko; Cinčić, DominikAgonistic-antagonistic effects of multiple halogen bonding in the cocrystals of polytopic donors and acceptors // Solid-State Science & Research - Book of Abstracts / Juribašić Kulcsár, Marina ; Halasz, Ivan (ur.).
Zagreb: Institut Ruđer Bošković, 2017. str. 68-68 (poster, sažetak, znanstveni) -
23.Golenić, Neven; Ilić, Ivan; Piteša, Tomislav; Stilinović, Vladimir; Cinčić, DominikThe polymorphism of 2-amino-4-methylpyridine salicylate: a thermodynamic study of stability // 24th Croatian – Slovenian Crystallographic Meeting - Book of abstracts
Bol, Hrvatska, 2016. str. N/A-N/A (predavanje, međunarodna recenzija, sažetak, znanstveni) -
24.Stilinović, Vladimir; Horvat, Gordan; Piteša, TomislavExperimental study and molecular dynamics simulation of solvent vapour effects on solid state phase transition in dibenzoylmethane // 24th Congress of Chemists and Technologists of Macedonia Book of abstracts / Jordanov, Svetomir Hadzi ; Tomovska, Elena (ur.).
Ohrid, 2016. str. 273-273 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
25.Topić, Edi; Bedeković, Nikola; Piteša, Tomislav; Stilinović, Vladimir; Cinčić, DominikHalogen bonding in cobaloxime systems // The Twenty-fourth Croatian-Slovenian Crystallographic Meeting - Book of Abstracts / Bijelić, Mirjana ; Cetina, Mario ; Čobić, Andrea ; Matković-Čalogović, Dubravka ; Popović, Stanko ; Štefanić, Zoran ; Tonejc, Antun ; Višnjevac Aleksandar (ur.).
Zagreb: Hrvatska akademija znanosti i umjetnosti ; Hrvatska kristalografska zajednica, 2016. str. 60-60 (predavanje, sažetak, znanstveni)