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Research

The group has fostered several on-going collaborations with researchers worldwide on a rich variety of projects including:

- Ab initio quantum mechanical calculations of van der Waals complexes

- Astrophysical chemistry

- Cement

- Co-crystals

- Cold molecules

- Experimental and theoretical studies of systems containing nitric oxide

- Inorganic pigments in paintings and archaeology

- Neutron scattering and molecular dynamics simulation of supercritical fluids

- Studies of indocyanine green and antibiotics

- Terahertz spectroscopy

 

 

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

 

   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. Mol. Struct., submitted.

   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*, 'The 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)

 

Grants and Awards (selected)

 

2024 (Greek) National Infrastructures for Research and Technology S.A. (GRNET) in the National HPC facility - ARIS; Awarded 100000 CPU hours

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 €

 

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