Michael G Siskos

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The unique catalytic role of water in aromatic C-H activation at neutral pH: a combined NMR and DFT study of polyphenolic compounds.

M. Choudhary, M. Siskos, Atia-Tul-Wahab, 2020, Physical chemistry chemical physics : PCCP.

Accurate ab initio calculations of O-HO and O-H(-)O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen bond distances.

A. Tzakos, I. Gerothanassis, M. Siskos, 2015, Organic & biomolecular chemistry.

Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals of trans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids

A. Michaelides, S. Skoulika, M. Siskos, 2012 .

Refinement of labile hydrogen positions based on DFT calculations of 1H NMR chemical shifts: comparison with X-ray and neutron diffraction methods.

M. Choudhary, I. Gerothanassis, M. Siskos, 2017, Organic & biomolecular chemistry.

NMR and Computational Studies as Analytical and High-Resolution Structural Tool for Complex Hydroperoxides and Diastereomeric Endo-Hydroperoxides of Fatty Acids in Solution-Exemplified by Methyl Linolenate

M. Choudhary, I. Gerothanassis, M. Siskos, 2020, Molecules.

DFT Calculations of 1H NMR Chemical Shifts of Geometric Isomers of Conjugated Linolenic Acids, Hexadecatrienyl Pheromones, and Model Triene-Containing Compounds: Structures in Solution and Revision of NMR Assignments

I. Gerothanassis, Alexandra Primikyri, Themistoklis Venianakis, 2021, Molecules.

C-N vs. C-C Bond Photodissociation in N-(tert-butyldiphenylmethyl)aniline

S. Garas, A. Zarkadis, Michael G Siskos, 2004 .

On the molecular basis of H2O/DMSO eutectic mixtures by using phenol compounds as molecular sensors: a combined NMR and DFT study.

I. Gerothanassis, M. Siskos, Panayiotis C Varras, 2021, Physical chemistry chemical physics : PCCP.

1H-NMR as a Structural and Analytical Tool of Intra- and Intermolecular Hydrogen Bonds of Phenol-Containing Natural Products and Model Compounds

A. Tzakos, I. Gerothanassis, P. Charisiadis, 2014, Molecules.

The 2-benzoyl xanthone/triethylamine system as a type II photoinitiator: A laser flash photolysis and computational study

O. Brede, R. Hermann, M. Siskos, 2011 .

2D to 3D solvent mediated transformation of a photoreactive lanthanum MOF: a case of three parallel photo-cycloaddition reactions

A. Michaelides, S. Skoulika, M. Siskos, 2019 .

Photoreactive 3D microporous lanthanide MOFs: formation of a strained ladderane in a partial single crystal-to-single crystal manner.

A. Michaelides, S. Skoulika, Michael G Siskos, 2011, Chemical communications.

Structural Studies of Monounsaturated and ω-3 Polyunsaturated Free Fatty Acids in Solution with the Combined Use οf NMR and DFT Calculations—Comparison with the Liquid State

G. Papamokos, I. Gerothanassis, Themistoklis Venianakis, 2023, Molecules.

NMR and DFT studies of monounsaturated and ω-3 polyunsaturated free fatty acids in the liquid state reveal a novel atomistic structural model of DHA

G. Papamokos, I. Gerothanassis, Themistoklis Venianakis, 2023, Journal of Molecular Liquids.

New conjugated polymer nanoparticles with high photoluminescence quantum yields for far-red and near infrared fluorescence bioimaging

A. Dimitrakopoulou-Strauss, P. Koralli, C. Chochos, 2020, Materials Chemistry Frontiers.

Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and 1H-NMR Chemical Shifts

I. Choudhary, I. Gerothanassis, M. Siskos, 2019, Molecules.

DFT-calculated structures based on 1H NMR chemical shifts in solution vs. structures solved by single-crystal X-ray and crystalline-sponge methods: Assessing specific sources of discrepancies

M. Choudhary, I. Gerothanassis, M. Siskos, 2018, Tetrahedron.

Investigation of solute-solvent interactions in phenol compounds: accurate ab initio calculations of solvent effects on 1H NMR chemical shifts.

A. Tzakos, I. Gerothanassis, M. Siskos, 2013, Organic & biomolecular chemistry.

Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with 1H-NMR Chemical Shifts and X-ray Diffraction Methods

M. Choudhary, I. Gerothanassis, M. Siskos, 2017, Molecules.

Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes

S. Skoulika, G. Gurzadyan, A. Trifonov, 2005, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.

The photo-Fries rearrangement of 9-trimethylsilyl substituted xanthenes

V. Georgakilas, G. Gurzadyan, O. Brede, 2006 .

On the Problem of Multiple Minima on the S2 Excited Potential Energy Surface of Benzene: A Restricted Active Space Self Consistent Field Study

M. Siskos, P. Gritzapis, Panayiotis C. Varras, 2020 .

Friedel–Crafts acetylation and benzoylation of benzylsilanes and xanthenes

V. Georgakilas, M. Siskos, A. Zarkadis, 2002 .

Free electron transfer mirrors rotational conformers of substituted aromatics: Reaction of benzyltrimethylsilanes with n-butyl chloride parent radical cations

O. Brede, S. Naumov, R. Hermann, 2004 .

1H ΝΜR chemical shift assignment, structure and conformational elucidation of hypericin with the use of DFT calculations – The challenge of accurate positions of labile hydrogens

M. Choudhary, A. Tzakos, I. Gerothanassis, 2016 .