Επιλέξτε τη γλώσσα σας

Έρευνα

H ομάδα έχει αναπτύξει συνεργασίες με ερευνητές από πολλές χώρες και εργάζεται σε μια μεγάλη ποικιλία θεμάτων

περιλαμβανομένων:

- Ab initio κβαντομηχανικοί υπολογισμοί ενώσεων van der Waals

- Αστροφυσική Χημεία

- Co-crystals

- Τσιμέντο

- Cold molecules

- Πειραματικές και θεωρητικές μελέτες συστημάτων που περιέχουν μονοξείδιο του αζώτου (ΝΟ)

- Ανόργανες χρωστικες σε έργα ζωγραφικλης και αρχαιολογία

- Σκέδαση νετρονίων και Μοριακή Δυναμική υπερκρίσιμων ρευστών

- Μελέτες της indocyanine green και αντιβιοτικών

- Φασματοσκοπία Terahertz

 

 

ΕΠΙΣΤΗΜΟΝΙΚΕΣ ΔΗΜΟΣΙΕΥΣΕΙΣ (Researcher ID: C-7216-2011, ORCID: 0000-0002-9367-4527)

 

  43.

C. Cockrell, K. Trachenko, T. F. Headen, A. K. Soper, P. Hadjidoukas, G. Katsidima, S. Marinakis*, 'Molecular dynamics simulations of liquid nitrogen monoxide', J. Mol. Liq., submitted

  42.

D. Athanasopoulos, K. Bourikas, P. Koutsoukos, A. Bekatorou, E. Kordouli, S. Marinakis, A. Koliadima, B. Symeopoulos, 'Uptake of Ba, Co and Cs in aqueous media by food microorganisms', J. Radioanal. Nucl. Chem., submitted

  41.

M. Zervos*, I. Paschos, P. Savvidis, N. Florini, K. Koutsokostas, P. Komninou, N. L. Lathiotakis, P. M. Levendis, S. Marinakis, 'High crystal quality and purity Cu2O by consecutive in-situ annealing and thermal oxidation of Cu under H2 and O2 at elevated temperatures', CrystEngComm 27, 1977-1985 (2025), DOI: 10.1039/D4CE01276C 

  40.

N. Georgopoulou, I. Necitailaite, C. D. Zeinalipour-Yazdi, D. Palles, G. Mousdis, C. Garoufalis, S. Marinakis*, 'Experimental and theoretical investigation of GS-441524 using Density Functional Theory, FTIR, Raman, and UV-VIS spectroscopy', J. Eng. Sci. Tech. Rev., 17, 5, 1-7 (2024), DOI: 10.25103/jestr.175.01

  39.

M. L. Dubernet*, C. Boursier, O. Denis-Alpizar, Y. A. Ba, N. Moreau, C. M. Zwölf, M. A. Amor, D. Babikov, N. Balakrishnan, C. Balança, M. Ben Khalifa, A. Bergeat, C. T. Bop, L. Cabrera-González, C. Cárdenas, A. Chefai, P. J. Dagdigian, F. Dayou, S. Demes, B. Desrousseaux, F. Dumouchel, A. Faure, R. C. Forrey, J. Franz, R. M. García-Vázquez, F. Gianturco, A. Godard Palluet, L. González-Sánchez, G. C. Groenenboom, P. Halvick, K. Hammami, F. Khadri, Y. Kalugina, I. Kleiner, J. Kłos, F. Lique, J. Loreau, B. Mandal, B. Mant, S. Marinakis, D. Ndaw, P. Pirlot Jankowiak, T. Price, E. Quintas-Sánchez, R. Ramachandran, E. Sahnoun, C. Santander, P. C. Stancil, T. Stoecklin, J. Tennyson, F. Tonolo, R. Urzúa-Leiva, B. Yang, E. Yurtsever, and Michal Zóltowski., 'BASECOL2023 scientific content', Astron. Astrophys., 683, A40 (31pp) (2024), DOI: 10.1051/0004-6361/202348233

  38.

A. Dimitropoulos, Ch. Stamou, Sp. P. Perlepes, Z. G. Lada, I. D. Petsalakis, S. Marinakis,'A Study of 1-Methylbenzotriazole (MEBTA) Using Quantum Mechanical Calculations and Vibrational, Electronic, and Nuclear Magnetic Resonance Spectroscopies', J. Eng. Sci. Technol. Rev., 16, 4, 77-84 (2023), DOI: 10.25103/jestr.164.10.

  37.

S. Marinakis, C. Cockrell, K. Trachenko, T. F. Headen, A. K. Soper, 'Microscopic structure of liquid nitric oxide', J. Phys. Chem. B, 126, 47, 9860-9870 (2022), DOI: 10.1021/acs.jpcb.2c05384

  36.

B. Desrousseaux, E. Quintas-Sánchez, R. Dawes, S. Marinakis, F. Lique, 'Collisional excitation of interstellar PN by H2: new interaction potential and scattering calculations', J. Chem. Phys.,154, 034304 (9pp) (2021), DOI: 10.1063/5.0039145

  35.

C. Cockrell, O. Dicks, L. Wang, K. Trachenko, A. Soper, V. V. Brazhkin, S. Marinakis*, 'Experimental and modelling evidence for structural crossover in supercritical CO2', Phys. Rev. E, 101, 052109(6pp) (2020) DOI: 10.1103/PhysRevE.101.052109

  34.

V. M. Rivilla*, M. N. Drozdovskaya, K. Altwegg, P. Caselli, M. T. Beltrán, F. Fontani, F. F. S. van der Tak, R. Cesaroni, A. Vasyunin, M. Rubin, F. Lique, S. Marinakis, L. Testi, and the ROSINA team, 'ALMA and ROSINA detections of phosphorus-bearing molecules: the interstellar thread between star-forming regions and comets', Mon. Notices Royal Astron. Soc., 492, 1180-98 (2020), DOI: 10.1093/mnras/stz3336 (mentioned in ESO/INAF press release: https://www.hq.eso.org/public/news/eso2001)

  33.

S. Marinakis*, Y. Kalugina, J. Kłos, F. Lique, 'Hyperfine excitation of CH and OH radicals by He', Astron. Astrophys., 629, A130(5pp) (2019) DOI: 10.1051/0004-6361/201936170

  32.

A. Soper, I. Skarmoutsos, J. Kłos, I. Samios, S. Marinakis*, 'A study of Ar-N2 supercritical mixtures using neutron scattering, molecular dynamics simulations and quantum mechanical scattering calculations', J. Mol. Liq., 290, 111168(14pp) (2019), DOI: 10.1016/j.molliq.2019.111168

  31.

F. Lique, I. Jiménez-Serra, S. Viti, S. Marinakis*, 'Collisional excitation of PO(X) by He: New ab initio potential energy surfaces and scattering calculations', Phys. Chem. Chem. Phys., 20, 5407-5414 (2018), DOI: 10.1039/C7CP05605B

  30.

D. Dellis, I. Samios, B. Collet, H. Versmold, J. Kłos, S. Marinakis*, 'A computer simulation study of thermodynamics, microscopic structure, depolarized Rayleigh scattering, and collision dynamics in Xe-N2 supercritical mixtures', J. Mol. Liq., 245, 42-51 (2017) DOI: 10.1016/j.molliq.2017.06.026

  29.

G. Sarma, A. K. Saha, C. K. Bishwakarma, R. Scheidsbach, C.-H. Yang, D. Parker, L. Wiesenfeld, U. Buck, L. Mavridis, S. Marinakis*, 'Collision energy dependence of state-to-state differential cross sections for rotationally inelastic scattering of H2O by He', Phys. Chem. Chem. Phys., 19, 4678-87 (2017) DOI: 10.1039/C6CP06495G

  28.

S. Marinakis*, Y. Kalugina, F. Lique, 'The hyperfine excitation of OH radicals by He', Eur. Phys.J. D, 70, 97(7pp) (2016) DOI: 10.1140/epjd/e2016-70068-x

Erratum: S. Marinakis*, Y. Kalugina, F. Lique, 'Erratum to: The hyperfine excitation of OH radicals by He', Eur. Phys.J. D, 73, 92(1pp) (2019) DOI: 10.1140/epjd/e2019-100135-9

  27.

S. Marinakis*, I. L. Dean, J. Kłos, F. Lique, 'Collisional excitation of CH(X2Π) by He: New ab initio potential energy surfaces and scattering calculations', Phys. Chem. Chem. Phys., 17, 21583-93 (2015) DOI: 10.1039/C5CP03696H

  26.

R. Hockley, H. Irshad, T. S. Sheriff, M. Motevalli, S. Marinakis*, 'Crystal structure of bromidonitrosylbis(triphenylphosphane- P)nickel(II)', Acta Cryst. E71, m87-8 (2015) DOI: 10.1107/S2056989015004703

  25.

G. Sarma, A. K. Saha, J. J. ter Meulen, D. H. Parker, S. Marinakis*, 'Differential and integral cross sections in OH(X) + Xe collisions', J. Chem. Phys. 142, 034309(7pp) (2015) DOI: 10.1063/1.4906070

  24.

Y. Kalugina, F. Lique, S. Marinakis*, 'New ab initio potential energy surfaces for the ro-vibrational excitation of OH(X2Π) by He', Phys. Chem. Chem. Phys. 16, 13500-7 (2014) DOI: 10.1039/C4CP01473A

  23.

M.-L. Dubernet* et al., 'BASECOL2012: A Collisional Database Repository and Web Service within the VAMDC', Astron. Astrophys., 553, A50(14pp) (2013) DOI: 10.1051/0004-6361/201220630

  22.

O. Denis-Alpizar, T. Stoecklin*, P. Halvick, M.-L. Dubernet, S. Marinakis, 'Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex', J. Chem. Phys., 137, 234301(7pp) (2012) DOI: 10.1063/1.4771658

  21.

M. Brouard, H. Chadwick, Y.-P. Chang, B. J. Howard, S. Marinakis*, N. Screen, S. A. Seamons, A. La Via, 'Hyperfine structure of NO(A2S+)', J. Mol. Spec., 282, 42-9 (2012) DOI: 10.1016/j.jms.2012.11.003

  20.

G. Sarma, S. Marinakis, J. J. ter Meulen, D. H. Parker*, K. G. McKendrick, 'Velocity-Map Imaging of Hydroxyl: Inelastic scattering with Ar and He', Nature Chem. 4, 985-9 (2012) DOI: 10.1038/nchem.1480

  19.

S. Marinakis*, B. J. Howard, F. J. Aoiz, J. Kłos, 'Product rotational alignment in NO(X) + Kr collisions', Chem. Phys. Lett. 512, 161-6 (2011) DOI: 10.1016/j.cplett.2011.07.011

  18.

G. Paterson, S. Marinakis, M. L. Costen, K. G. McKendrick*, J. Kłos, R. Toboła, 'Erratum: Orientation and alignment depolarisation in OH(X2Π) + Αr/He collisions', J. Chem. Phys. 131, 159901(3pp) (2009) DOI: 10.1063/1.3243457

  17.

F. J. Aoiz, J. E. Verdasco, M. Brouard*, J. Kłos, S. Marinakis, S. Stolte, 'Inelastic scattering of He atoms and NO(X2Π) molecules: The role of parity on the differential cross section', J. Phys. Chem. A 113, 14636(14pp) (2009) DOI: 10.1021/jp9043732

  16.

G. Paterson, S. Marinakis, M. L. Costen, K. G. McKendrick*, 'Depolarisation of rotational orientation and alignment of OH(2Π) in collisions with molecular partners: N2 and O2', Phys. Chem. Chem. Phys. 11, 8813(8pp) (2009) DOI: 10.1039/B909051G

  15.

G. Paterson, S. Marinakis, J. Kłos, M. L. Costen, K. G. McKendrick*, 'Depolarisation of rotational orientation and alignment in OH(2Π) + Xe collisions', Phys. Chem. Chem. Phys. 11, 8804(9pp) (2009) DOI: 10.1039/B909050A

  14.

G. Paterson, S. Marinakis, M. L. Costen, K. G. McKendrick*, 'Depolarisation of  rotational angular momentum in open-shell collisions: OH + rare gases', Phys. Scripta 80, 048111(7pp) (2009) (by invitation) DOI: 10.1088/0031-8949/80/04/048111

  13.

M. Brouard*, A. Bryant, Y.-P. Chang, R. Cireasa, C. J. Eyles, A. Green, S. Marinakis, F. J. Aoiz, J. Kłos, 'Collisional depolarisation of OH(A) with Ar: experiment and theory', J. Chem. Phys. 130, 044306(12pp) (2009) DOI: 10.1063/1.3061551

  12.

G. Paterson, S. Marinakis, M. L. Costen, K. G. McKendrick*, J. Kłos, R. Toboła, 'Orientation and alignment depolarisation in OH(X2Π) + Αr/He collisions', J. Chem. Phys. 129, 074304 (18pp) (2008) DOI: 10.1063/1.2967861

  11.

M. L. Costen, S. Marinakis, K. G. McKendrick*, 'Do vectors point the way to understanding energy transfer in molecular collisions?', Chem. Soc. Revs (by invitation) 37, 732-743 (2008) DOI: 10.1039/B618070C

  10.

M. Chalaris, S. Marinakis*, D. Dellis, 'Temperature effects on the structure and dynamics of liquid dimethyl sulfoxide: A molecular dynamics study', Fluid Phase Equilib. 267, 47-60 (2008) DOI: 10.1016/j.fluid.2008.02.019

  9.

S. Marinakis, G. Paterson, G. Richmond, M. Rockingham, M. L. Costen, K. G. McKendrick*, 'Rotational angular momentum polarisation: The influence of stray magnetic fields', J. Chem. Phys. 128, 021101(4pp) (2008) DOI: 10.1063/1.2829111

  8.

S. Marinakis, G. Paterson, J. Kłos, M. L. Costen, K. G. McKendrick*, 'Inelastic scattering of OH(X2Π) with Ar and He: A combined polarisation spectroscopy and quantum scattering study', Phys. Chem. Chem. Phys. 9, 4414-4426 (2007) (by invitation) DOI: 10.1039/B703909C

  7.

J. Kłos, F. J. Aoiz, J. E. Verdasco, M. Brouard*, S. Marinakis, S. Stolte, 'Fully quantum state-resolved inelastic scattering between He and NO(X 2Π)', J. Chem. Phys. 127, 031102(4pp) (2007) DOI: 10.1063/1.2756826

  6.

M. Brouard*, A. Bryant, I. Burak, S. Marinakis, F. Quadrini, I. Garcia, C. Vallance, 'Collisional depolarisation of OH(A) studied by Zeeman quantum beat spectroscopy', Molec. Phys. 103, 1693-1702 (2005) DOI: 10.1080/00268970500096293

  5.

S. Marinakis*, I. Samios, 'The temperature and density dependence of fluid xenon self-diffusion coefficients: a comparison between experimental, theoretical and molecular dynamics results', J. Supercrit. Fluids 34, 81-9 (2005) DOI: 10.1016/j.supflu.2004.10.002

  4.

M. Brouard*, I. Burak, S. Marinakis, L. Rubio Lago, P. Tampkins, C. Vallance, 'Product spin-orbit dependence of the H + H2O and H + D2O abstraction reactions', J. Chem. Phys. 121, 10426-10436 (2004) DOI: 10.1063/1.1809578

  3.

M. Brouard*, S. Marinakis, L. Rubio Lago, F. Quadrini, D. Solaiman, C. Vallance, F. J. Aoiz, L. Bañares, J. F. Castillo, 'Cross-sections for the H + H2O→OH + H2 and H + D2O→OD + HD abstraction reactions', Phys. Chem. Chem. Phys. 6, 4991-9 (2004) DOI: 10.1039/B409667C

  2.

M. Brouard*, I. Burak, S. Marinakis, D. Minayev, P. O’ Keeffe, C. Vallance, F. J. Aoiz, L. Bañares, J. F. Castillo, D. H. Zhang, D. Xie, M. Yang, S. – Y. Lee, M. A. Collins, 'Cross section for the H + H2O abstraction reaction: experiment and theory', Phys. Rev. Lett. 90, 093201-4 (2003) DOI: 10.1103/PhysRevLett.90.093201

  1.

S. Marinakis*, I. Kerkines, 'Chemical Warfare Agents', Greek Military Review, 5, 106-121 (2002)

 

ΧΡΗΜΑΤΟΔΟΤΗΣΗ και ΒΡΑΒΕΙΑ (επιλογή)

 

2025 (Greek) National Infrastructures for Research and Technology S.A. (GRNET) in the National HPC facility - ARIS; Awarded 1 000 000 CPU hours

2024 (Greek) National Infrastructures for Research and Technology S.A. (GRNET) in the National HPC facility - ARIS; Awarded 100 000 CPU hours

2024 U. of Patras, Funding for computational software; Awarded 12102 €;

2023 Erasmus+, Funding for research visit to IPR - Université de Rennes, France; Awarded 1368 €

2023 U. of Patras, Funding for organizing the International Conference on Physical Chemistry and Spectroscopy; Awarded 1000 €

2021 U. of Patras, Funding for organizing the International Conference on Physical Chemistry and Spectroscopy; Awarded 1000 €

2020 UEL Internal Internship; 'Monitoring key air-pollutants in the Docklands resulting the taking off and landing of airplanes from City Airport'; Awarded £1700

2019 Science and Technology Facilities Council (STFC); 'Watching the birth and death of chemical bonds with pulsed neutrons: The case of nitric oxide'; Awarded (Co-I) £150k

2019 UEL Internal Internship; 'Monitoring the air-pollution in the most affected areas in Tower Hamlets, London'; Awarded £3545

2018 Science and Technology Facilities Council (STFC); 'Microscopic structure of nitric oxide (NO): A comparison between experiments and theory'; Notional value £43.5k

2017 Science and Technology Facilities Council (STFC); 'Microscopic structure as an evidence for a new thermodynamic boundary in supercritical CO2: A comparison between experiments and theory'; Notional value £114.48k

2016 Science and Technology Facilities Council (STFC); 'Local intermolecular structure and dynamics in binary supercritical mixtures'; Notional value £127.7k

2016 European Cooperation in Science and Technology - COST, Chemistry and Molecular Sciences and Technologies (CMST) CM1401; Awarded 750 €

 

Λίστα ανακοινώσεων Τμήματος Χημείας

Η λίστα ανακοινώσεων του Τμήματος Χημείας είναι:

Για εγγραφή στη λίστα στείλτε email στη διεύθυνση:

Για διαγραφή από τη λίστα στείλτε email στη διεύθυνση:


 Περισσότερες πληροφορίες εδώ.