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Mokslinės publikacijos

21

Diska, L.; Bockuviene, A.; Gruskiene, R.; Kavleiskaja, T.; Sereikaite, J.; Bankovskaite, G.; Macernis, M., Interactions of lycopene with β-cyclodextrins: Raman spectroscopy and theoretical investigation. Phys Chem Chem Phys 2025, 27 (15), 7874-7881.

20

Halimski, I.; Karpicz, R.; Dementjev, A.; Jankunec, M.; Chmeliov, J.; Macernis, M.; Abramavicius, D.; Valkunas, L., trans-Stilbene aggregates and crystallites in polystyrene films: microscopy and spectroscopy studies. Phys Chem Chem Phys 2024, 26 (36), 23692-23702.

19

Zakutauskaite, K.; Macernis, M.; Nguyen, H. H.; Ogilvie, J. P.; Abramavicius, D., Extracting the excitonic Hamiltonian of a chlorophyll dimer from broadband two-dimensional electronic spectroscopy. J Chem Phys 2023, 158 (1).

18

Karpicz, R.; Kareivaite, G.; Macernis, M.; Abramavicius, D.; Valkunas, L., Two phases of -stilbene in a polystyrene matrix. Phys Chem Chem Phys 2023, 25 (32), 21183-21190.

17

Mikalciute, A.; Gelzinis, A.; Macernis, M.; Büchel, C.; Robert, B.; Valkunas, L.; Chmeliov, J., Structure-based model of fucoxanthin-chlorophyll protein complex: Calculations of chlorophyll electronic couplings. J Chem Phys 2022, 156 (23).

16

Macernis, M.; Streckaite, S.; Litvin, R.; Pascal, A. A.; Llansola-Portoles, M. J.; Robert, B.; Valkunas, L., Electronic and Vibrational Properties of Allene Carotenoids. J Phys Chem A 2022, 126 (6), 813-824.

15

Macernis, M.; Mourokh, L.; Vinciunas, L.; Valkunas, L., Mechanism of Proton Transfer in Bacteriorhodopsin. Lith J Phys 2022, 62 (3), 179-193.

14

Macernis, M.; Bockuviene, A.; Gruskiene, R.; Krivorotova, T.; Sereikaite, J., Raman study for β-ring positioning in β-Carotene complexes with Cyclodextrins and Chitooligosaccharides. J Mol Struct 2021, 1226.

13

Karpicz, R.; Ostapenko, N.; Ostapenko, Y.; Polupan, Y.; Lazarev, I.; Galunov, N.; Macernis, M.; Abramavicius, D.; Valkunas, L., Unusual temperature dependence of the fluorescence decay in heterostructured stilbene. Phys Chem Chem Phys 2021, 23 (5), 3447-3454.

12

Streckaite, S.; Macernis, M.; Li, F.; Trsková, E. K.; Litvin, R.; Yang, C. H.; Pascal, A. A.; Valkunas, L.; Robert, B.; Llansola-Portoles, M. J., Modeling Dynamic Conformations of Organic Molecules: Alkyne Carotenoids in Solution. J Phys Chem A 2020, 124 (14), 2792-2801.

11

Dementjev, A.; Rutkauskas, D.; Polovy, I.; Macernis, M.; Abramavicius, D.; Valkunas, L.; Dovbeshko, G., Characterization of thymine microcrystals by CARS and SHG microscopy. Sci Rep-Uk 2020, 10 (1). https://doi.org/10.1038/s41598-020-74305-4

10

Macernis M, On the Dimers Stability of Allicin and Its Derivatives Interacting with AT, GC, and DNA Bridge: DFT Study, J. Chem., 2017, 1428508-11

9

Macernis M; Galzerano D; Sulskus J; Kish E; Kim YH; Koo S; Valkunas L; Robert B, Resonance Raman Spectra of Carotenoid Molecules: Influence of Methyl Substitutions, J. Phys. Chem. A, 2015, 119 (1), 56–66

8

Macernis M; Sulskus J; Malickaja S Ruban A; Valkunas L, Resonance Raman Spectra and Electronic Transitions in Carotenoids: A Density Functional Theory Study, J. Phys. Chem. A, 2014, 118 (10), 1817–1825

7

Toliautas S.; Macernis M; Sulskus J.; Valkunas L, Solvent effect on the photo-induced proton transfer in 2-(N-methyl-α-iminoethyl)-phenol, Chem Phys Lett 2014, (591), 52-57

6

Duffy C; Chmeliov J; Macernis M; Sulskus J; Valkunas L; Ruban A, Modeling of Fluorescence Quenching by Lutein in the Plant Light-Harvesting Complex LHCII, J Phys Chem B 2013, (117), 10974–10986

5

Macernis M; Sulskus J; Duffy C; Ruban A; Valkunas L, The Electronic Spectra of Structurally Deformed Lutein, J Phys Chem A 2012, 116 (40), 9843–9853

4

Karpicz R; Gulbinas V; Lewanowicz A, Macernis M, Sulskus J, Valkunas L, Relaxation Pathways of Excited N-(Triphenylmethyl)salicylidenimine in Solutions, J. Phys. Chem. A, 2011, 115(19), 1861-1868

5

Jasinskas R; Maršalka A; Šulskus J; Macernis M; Augulienė V; Kazlauskas M; Lunytė E, Materiologinių sąlygų modeliavimas naujos kartos HARMONIE modeliu, vartinant radioaktyvių medžiagų sklaidą avarijų metu. Visuomenės sveikata (Public Health) 2012, 2, 31–35

2

Duffy CDP; Johnson MP; Macernis M; Valkunas L; Barford W; Ruban AV, A theoretical investigation of the photophysical consequences of major plant light-harvesting complex aggregation within the photosynthetic membrane, J. Phys. Chem. B, 2010, 114 (46), 15244-15253

3

Kietis BP; Macernis M; Sulskus J; Valkunas L, Estimation of the permanent dipole moment of bacteriorhodopsin, Lith. J. Phys., 2010, 114 (46), 15244-15253

1

Macernis M; Kietis BP; Sulskus J; Lin SH; Hayashi M; Valkunas L, Triggering the proton transfer by H-bond network, Chem. Phys. Lett., 2008, 466 (4-6), 223-226