Pregled po projektu: Svjetlo na molekulama: istraživanje spregnute elektronske i nuklearne dinamike (LightMol) (MB: HRZZ-IP-2016-06-1142)

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Radovi u časopisima (46)

Znanstveni i pregledni radovi (44)

Drugi radovi u časopisima (2)

Sažeci sa skupova (6)

Sažeci u zbornicima i časopisima (3)

Druga sudjelovanja na skupovima (3)

Knjige i poglavlja u knjigama (2)

Uredničke knjige (1)

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Uredničke knjige

1.

Proceedings of the 2nd Croatian Combinatorial Days / Došlić, Tomislav ; Martinjak, Ivica (ur.), 2019 (zbornik) doi:10.5592/CO/CCD.2018
doi

Poglavlja u knjigama

1.

Došlić, Tomislav; Škegro, Mirjam
Directed packings of circles in the plane // Proceedings of the 2nd Croatian Combinatorial Days / Došlić, Tomislav ; Martinjak, Ivica (ur.)., 2019. str. 27-48 doi:10.5592/CO/CCD.2018.03
doi

Radovi u časopisima

Znanstveni i pregledni radovi

1.

Došlić, Tomislav; Taheri-Dehkordi, Meysam; Fath-Tabar, Gholam Hossein
Shortest perfect pseudomatchings in fullerene graphs // Applied mathematics and computation, 424 (2022), 127026, 11 (međunarodna recenzija, članak, znanstveni)
2.

Coonjobeeharry, J.; Spinlove, K. E.; Sanz Sanz, C.; Sapunar, Marin; Došlić, Nađa; Worth, G. A.
Mixed-quantum-classical or fully-quantized dynamics? A unified code to compare methods // Philosophical transactions - Royal Society. Mathematical, Physical and engineering sciences, 380 (2022), 2223; 20200386, 17 doi:10.1098/rsta.2020.0386 (međunarodna recenzija, članak, znanstveni)
doi royalsocietypublishing.org doi.org
3.

Milovanović, Branislav; Novak, Jurica; Etinski, Mihajlo; Domcke, Wolfgang; Došlić, Nađa
On the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solution // PCCP. Physical chemistry chemical physics, 24 (2022), 24; 14836-14845 doi:10.1039/d2cp00495j (međunarodna recenzija, članak, znanstveni)
doi pubs.rsc.org doi.org
4.

Došlić, Tomislav
Counting perfect star drawings // G - Slovak Journal for Geometry and Graphics, 18 (2021), 35; 11-20 (međunarodna recenzija, članak, znanstveni)
5.

Ali, Akbar; Došlić, Tomislav
Mostar index: Results and perspectives // Applied mathematics and computation, 404 (2021), 126245, 19 doi:10.1016/j.amc.2021.126245 (međunarodna recenzija, članak, znanstveni)
doi
6.

Došlić, Tomislav
Restricted 2-extendability of (3,6)-fullerenes // Discrete applied mathematics, 298 (2021), 1-6 doi:10.1016/j.dam.2021.03.010 (međunarodna recenzija, članak, znanstveni)
doi
7.

Došlić, Tomislav; Réti, Tamás; Ali, Akbar
On the structure of graphs with integer Sombor indices // Discrete Mathematics Letters, 7 (2021), 1-4 doi:10.47443/dml.2021.0012 (međunarodna recenzija, članak, znanstveni)
doi
8.

Gao, Fang; K. Xu, Kexiang; Došlić, Tomislav
On the difference of Mostar index and irregularity of graphs // Bulletin of the Malaysian Mathematical Sciences Society, 44 (2021), 905-926 doi:10.1007/s40840-020-00991-y (međunarodna recenzija, članak, znanstveni)
doi
9.

Réti, Tamas; Došlić, Tomislav; Ali, Akbar
On the Sombor index of graphs // Contributions to Mathematics, 3 (2021), 11-18 doi:10.47443/cm.2021.0006 (međunarodna recenzija, članak, znanstveni)
doi
10.

Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, Piero
Combined 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)
doi pubs.acs.org doi.org
11.

Milovanović, Branislav; Novak, Jurica; Etinski, Mihajlo; Domcke, Wolfgang; Došlić, Nađa
Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil–water clusters // PCCP. Physical chemistry chemical physics, 23 (2021), 4; 2594-2604 doi:10.1039/D0CP05618A (međunarodna recenzija, članak, znanstveni)
doi pubs.rsc.org doi.org
12.

Eraković, Mihael; Cvitaš, Marko Tomislav
Tunnelling splitting patterns in some partially deuterated water trimers // PCCP. Physical chemistry chemical physics, 23 (2021), 4240-4254 doi:10.1039/D0CP06135B (međunarodna recenzija, članak, znanstveni)
doi doi.org pubs.rsc.org
13.

Alonso-Jordá, Pedro; Davidović, Davor; Sapunar, Marin; Herrero, José R.; Quintana- Ortí, Enrique S.
Efficient update of determinants for many- electron wave function overlaps // Computer physics communications, 258 (2021), 107521, 14 doi:10.1016/j.cpc.2020.107521 (međunarodna recenzija, članak, znanstveni)
doi fulir.irb.hr www.sciencedirect.com doi.org
14.

Novak, Jurica; Mališ, Momir; Došlić, Nađa
On the Possible Role of an Intermolecular Charge Transfer State in the Excitation of the Biologically Active Bond of the Retinal Chromophore-counterion Pair // Croatica chemica acta, 93 (2020), 4; 303-310 doi:10.5562/cca3748 (međunarodna recenzija, članak, znanstveni)
doi hrcak.srce.hr doi.org fulir.irb.hr
15.

Došlić, Tomislav
Computing Degeneracies of the Most Important Structures of Polycyclic Aromatic Hydrocarbons // Croatica chemica acta, 93 (2020), 4; 279-287 doi:10.5562/cca3752 (međunarodna recenzija, članak, znanstveni)
doi hrcak.srce.hr
16.

Došlić, Tomislav; Hosseinzadeh, Mohammad Ali; Hossein-Zadeh, Samaneh; Iranmanesh, Ali; Rezakhanlou, Fraydoun
On generalized Zagreb indices of random graphs // MATCH : communications in mathematical and in computer chemistry, 84 (2020), 499-511 (međunarodna recenzija, članak, znanstveni)
17.

Došlić, Tomislav; Taheri-Dehkordi, Meysam; Fath-Tabar, Gholam Hossein
Packing stars in fullerenes // Journal of mathematical chemistry, 58 (2020), 2223-2244 (međunarodna recenzija, članak, znanstveni)
18.

Došlić, Tomislav
All pairs of pentagons in leapfrog fullerenes are nice // Mathematics, 8 (2020), 2135, 7 (međunarodna recenzija, članak, znanstveni)
19.

Došlić, Tomislav
Nice pairs of odd cycles in fullerene graphs // Journal of mathematical chemistry, 58 (2020), 2204-2222 (međunarodna recenzija, članak, znanstveni)
20.

Došlić, Tomislav
On the Laplacian Szeged spectrum of paths // Iranian Journal of Mathematical Chemistry, 11 (2020), 1; 57-63 (međunarodna recenzija, članak, znanstveni)
21.

Grisanti, Luca; Sapunar, Marin; Hassanali, Ali; Došlić, Nađa
Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study // Journal of the American Chemical Society, 142 (2020), 42; 18042-18049 doi:10.1021/jacs.0c07134 (međunarodna recenzija, članak, znanstveni)
doi pubs.acs.org doi.org
22.

Eraković, Mihael; Cvitaš, Marko Tomislav
Tunneling splittings of vibrationally excited states using general instanton paths // The Journal of chemical physics, 153 (2020), 13; 134106, 18 doi:10.1063/5.0024210 (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi fulir.irb.hr doi.org aip.scitation.org
23.

Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Basarić, Nikola; Došlić, Nađa
Photoelimination 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)
doi fulir.irb.hr doi.org pubs.acs.org
24.

Eraković, Mihael; Vaillant, Christophe L.; Cvitaš, Marko T.
Instanton theory of ground-state tunneling splittings with general paths // The Journal of chemical physics, 152 (2020), 8; 084111, 13 doi:10.1063/1.5145278 (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi fulir.irb.hr aip.scitation.org doi.org
25.

Cvitaš, Marko T.; Richardson, Jeremy O.
Quantum tunnelling pathways of the water pentamer // PCCP. Physical chemistry chemical physics, 22 (2020), 1035-1044 doi:10.1039/C9CP05561D (međunarodna recenzija, članak, znanstveni)
doi pubs.rsc.org doi.org
26.

Ponzi, Aurora; Quadri, N.; Angeli, C.; Decleva, P.
Electron correlation effects in the photoionization of CO and isoelectronic diatomic molecules // PCCP. Physical chemistry chemical physics, 21 (2019), 4; 1937-1951 doi:10.1039/c8cp06103c (međunarodna recenzija, članak, znanstveni)
doi pubs.rsc.org doi.org
27.

Alizadeh, Yaser; Došlić, Tomislav; Xu, Kexiang
On the eccentric complexity of graphs // Bulletin of the Malaysian Mathematical Sciences Society, 42 (2019), 1607-1623 (međunarodna recenzija, članak, znanstveni)
28.

Došlić, Tomislav
Block allocation of a sequential resource // ARS Mathematica Contemporanea, 17 (2019), 79-88 (međunarodna recenzija, članak, znanstveni)
29.

Xie, Weiwei; Sapunar, Marin; Došlić, Nađa; Sala, Matthieu; Domcke, Wolfgang
Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine // The Journal of chemical physics, 150 (2019), 15; 154119, 12 doi:10.1063/1.5084961 (međunarodna recenzija, članak, znanstveni)
doi aip.scitation.org doi.org
30.

Sapunar, Marin; Piteša, Tomislav; Davidović, Davor; Došlić, Nađa
Highly 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)
doi pubs.acs.org doi.org
31.

Knežević, Anamarija; Novak, Jurica; Vinković, Vladimir
New Brush-Type Chiral Stationary Phases for Enantioseparation of Pharmaceutical Drugs // Molecules, 24 (2019), 4; 823, 16 doi:10.3390/molecules24040823 (međunarodna recenzija, članak, znanstveni)
doi fulir.irb.hr www.mdpi.com
32.

Emanuel, Azor; Došlić, Tomislav: Ali, Akbar
Two upper bounds on the weighted Harary indices // Discrete Mathemetics Letters, 1 (2019), 21-25 (međunarodna recenzija, članak, znanstveni)
33.

Sapunar, Marin; Ayari, Tarek; Došlić, Nađa
Comparative study of the photodynamics of malonaldehyde and acetylacetone // Chemical physics, 515 (2018), 622-627 doi:10.1016/j.chemphys.2018.07.042 (međunarodna recenzija, članak, znanstveni)
doi doi.org www.sciencedirect.com
34.

Došlić, Tomislav
On the number of spanning trees in alternating polycyclic chains // Journal of mathematical chemistry, 56 (2018), 2794-2800 (međunarodna recenzija, članak, znanstveni)
35.

Došlić, Tomislav; Martinjak, Ivica; Škrekovski, Riste; Tipurić Spužević, Sanja; Zubac, Ivana
Mostar index // Journal of mathematical chemistry, 56 (2018), 2995-3013 (međunarodna recenzija, članak, znanstveni)
36.

Došlić, Tomislav; Tratnik, Niko; Žigert Pleteršek, Petra
Saturation number of lattice animals // ARS Mathematica Contemporanea, 15 (2018), 191-204 (međunarodna recenzija, članak, znanstveni)
37.

Vukičević, Damir; Li, Qiuli; Sedlar, Jelena; Došlić, Tomislav
Lanzhou index // MATCH : communications in mathematical and in computer chemistry, 80 (2018), 863-876 (međunarodna recenzija, članak, znanstveni)
match.pmf.kg.ac.rs
38.

Došlić, Tomislav; Zubac, Ivana
Partition of $\pi $-electrons among the faces of polyhedral carbon clusters, // Journal of mathematical chemistry, 56 (2018), 2512-2524 (međunarodna recenzija, članak, znanstveni)
39.

Došlić, Tomislav; Zubac, Ivana
Partition of $\pi $-electrons among the faces of fullerene graphs and possible applications to fullerene stability // MATCH : communications in mathematical and in computer chemistry, 80 (2018), 267-279 (međunarodna recenzija, članak, znanstveni)
40.

Knežević, Anamarija; Novak, Jurica; Pescitelli, Gennaro; Vinković, Vladimir
Determination of the Absolute Configuration of (S )-N -(1-Aryl-allyl)-3, 5-dinitrobenzamides and Their Elution Order on Brush-Type Chiral Stationary Phases // European journal of organic chemistry, 2018 (2018), 19; 3982-3991 doi:10.1002/ejoc.201800346 (međunarodna recenzija, članak, znanstveni)
doi onlinelibrary.wiley.com
41.

Vukičević, Damir; Zhao, Shuang; Sedlar, Jelena; Xu, Shou-Jun; Došlić, Tomislav
Global forcing number for maximal matchings // Discrete mathematics, 341 (2018), 3; 801-809 doi:10.1016/j.disc.2017.12.002 (međunarodna recenzija, članak, znanstveni)
doi www.sciencedirect.com doi.org
42.

Nasiri, R.; Ellahi, H. R.; Fath-Tabar, G. H.; Gholami, A.; Došlić, Tomislav
The signless Laplacian Estrada index of tricyclic graphs // Australasian Journal of Combinatorics, 69 (2017), 259-270 (međunarodna recenzija, članak, znanstveni)
link.springer.com
43.

Novak, Jurica; Prlj, Antonio; Basarić, Nikola; Corminboeuf, Clémence; Došlić, Nađa
Photochemistry of 1- and 2-Naphthols and Their Water Clusters : The Role of 1 ππ*(La ) Mediated Hydrogen Transfer to Carbon Atoms // Chemistry : a European journal, 23 (2017), 34; 8244-8251 doi:10.1002/chem.201700691 (međunarodna recenzija, članak, znanstveni)
doi onlinelibrary.wiley.com
44.

Chaiwongwattana, Sermsiri; Škalamera, Đani; Došlić, Nadja; Bohne, Cornelia; Basarić, Nikola
Substitution Pattern on Anthrol Carbaldehydes: Excited State Intramolecular Proton Transfer (ESIPT) with a Lack of Phototautomer Fluorescence // PCCP. Physical chemistry chemical physics, 19 (2017), 41; 28439-28449 doi:10.1039/C7CP05472F (međunarodna recenzija, članak, znanstveni)
doi pubs.rsc.org

Drugi radovi u časopisima

1.

Ponzi, Aurora; Sapunar, Marin; Došlić, Nađa; Decleva, Piero
Photoionization of pyrrole from the B_2 state: a computational study on the effects of Rydberg–valence mixing // Theoretical chemistry accounts, 139 (2020), 8; 137, 8 doi:10.1007/s00214-020-02649-1 (međunarodna recenzija, članak, ostalo)
doi link.springer.com doi.org
2.

Sapunar, Marin; Domcke, Wolfgang; Došlić, Nađa
UV absorption spectra of DNA bases in the 350– 190 nm range: assignment and state specific analysis of solvation effects // PCCP. Physical chemistry chemical physics, 21 (2019), 41; 22782-22793 doi:10.1039/c9cp04662c (međunarodna recenzija, članak, ostalo)
doi pubs.rsc.org

Sažeci sa skupova

Sažeci u zbornicima i časopisima

1.

Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Bohne, Cornelia; Basarić, Nikola; Došlić, Nađa
Anti-Kasha nitrogen photoelimination from diazoalkanes // Book of Abstracts
Zagreb, Hrvatska, 2020. str. 47-47 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni)
drive.google.com
2.

Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Bohne, Cornelia; Basarić, Nikola; Došlić, Nađa
Photoinduced Nitrogen Elimination from Diazoalkanes // Knjiga sažetaka
Zagreb, Hrvatska, 2020. str. 121-121 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni)
www.pmf.unizg.hr
3.

Basarić, Nikola; Chaiwongwattana, Sermsiri; Došlić, Nađa; Škalamera, Đani; Bohne, Cornelia
Excited State Intramolecular Proton Transfer (ESIPT) in Anthrol Carbaldehydes // 28th International Conference on Photochemistry / ICP 2017 / Strasbourg, Francuska
Strasbourg, Francuska, 2017. str. 54-54 (poster, međunarodna recenzija, sažetak, znanstveni)
icp2017strasbourg.u-strasbg.fr

Druga sudjelovanja na skupovima

1.

Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, Piero
Mixed 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)
2.

Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, Piero
Ab 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)
3.

Piteša, Tomislav; Došlić, Nađa
Ab 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)