Demeter Tzeli

Affiliations

Theoretical and Physical Chemistry Institute, The National Hellenic Research Foundation, 48 Vassileos Constantinou Avenue, Athens 11635, Greece.
Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, Athens 157 71, Greece.

ORCID: 0000-0003-0899-7282

Publications (35)

Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces.

Journal of the American Chemical Society

Avec: Faiz-Ur Rahman , Demeter Tzeli , Ioannis D Petsalakis , Giannoula Theodorakopoulos , Pablo Ballester , Julius Rebek , Yang Yu

Synthesis of Thiazolidin-4-Ones Derivatives, Evaluation of Conformation in Solution, Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets.

Molecules (Basel, Switzerland)

Avec: Nikitas Georgiou , Danai Karta , Antigoni Cheilari , Franci Merzel , Demeter Tzeli , Stamatia Vassiliou , Thomas Mavromoustakos

Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin.

Molecules (Basel, Switzerland)

Avec: Vasiliki Vakali , Michail Papadourakis , Nikitas Georgiou , Nikoletta Zoupanou , Dimitrios A Diamantis , Uroš Javornik , Paraskevi Papakyriakopoulou , Janez Plavec , Georgia Valsami , Andreas G Tzakos , Demeter Tzeli , Zoe Cournia , Thomas Mauromoustakos

Molybdenum-Sulfur Bond: Electronic Structure of Low-Lying States of MoS.

The journal of physical chemistry. A

Avec: Demeter Tzeli , Ioannis Karapetsas , Dakota M Merriles , Joshua C Ewigleben , Michael D Morse

Electronic Structure of the Low-Lying States of the Triatomic MoS

Chemphyschem : a European journal of chemical physics and physical chemistry

Avec: Markella A Mermigki , Ioannis Karapetsas , Demeter Tzeli

Quadruple chemical bonding in the diatomic anions TcN

Journal of computational chemistry

Avec: Demeter Tzeli

Self Cycloaddition of o-Naphthoquinone Nitrosomethide to (±) Spiro{naphthalene(naphthopyranofurazan)}-one Oxide: An Insight into its Formation.

ChemPlusChem

Avec: Demeter Tzeli , Ioannis E Gerontitis , Ioannis D Petsalakis , Petros G Tsoungas , George Varvounis

Thiocarbohydrazone and Chalcone-Derived 3,4-Dihydropyrimidinethione as Lipid Peroxidation and Soybean Lipoxygenase Inhibitors.

ACS omega

Avec: Nikitas Georgiou , Eleni Chontzopoulou , Antigoni Cheilari , Aikaterini Katsogiannou , Danai Karta , Kyriaki Vavougyiou , Dimitra Hadjipavlou-Litina , Uroš Javornik , Janez Plavec , Demeter Tzeli , Stamatia Vassiliou , Thomas Mavromoustakos

Electronic Structure and Chemical Bonding of the First-, Second-, and Third-Row-Transition-Metal Monoborides: The Formation of Quadruple Bonds in RhB, RuB, and TcB.

Molecules (Basel, Switzerland)

Avec: Constantinos Demetriou , Christina Eleftheria Tzeliou , Alexandros Androutsopoulos , Demeter Tzeli

Quadruple bonds in MoC: Accurate calculations and precise measurement of the dissociation energy of low-lying states of MoC.

The Journal of chemical physics

Avec: Alexandros Androutsopoulos , Demeter Tzeli , Kimberly H Tomchak , Michael D Morse

Density functional theory and enzyme studies support interactions between angiotensin receptor blockers and angiotensin converting enzyme-2: Relevance to coronavirus 2019.

Bioorganic chemistry

Avec: Vasso Apostolopoulos , Nikitas Georgiou , Demeter Tzeli , Thomas Mavromoustakos , Graham J Moore , Konstantinos Kelaidonis , Minos-Timotheos Matsoukas , Sotirios Tsiodras , Jordan Swiderski , Laura Kate Gadanec , Anthony Zulli , Christos T Chasapis , John M Matsoukas

Copper-Catalyzed α-Alkylation of Aryl Acetonitriles with Benzyl Alcohols.

The Journal of organic chemistry

Avec: Marianna Danopoulou , Leandros P Zorba , Athanasia P Karantoni , Demeter Tzeli , Georgios C Vougioukalakis

Molecular investigation of artificial and natural sweeteners as potential anti-inflammatory agents.

Journal of biomolecular structure & dynamics

Avec: Eleni Chontzopoulou , Christina D Papaemmanouil , Maria V Chatziathanasiadou , Dimitrios Kolokouris , Sofia Kiriakidi , Athina Konstantinidi , Ioanna Gerogianni , Theodore Tselios , Ioannis K Kostakis , Evangelia D Chrysina , Dimitra Hadjipavlou-Litina , Demeter Tzeli , Andreas G Tzakos , Thomas Mavromoustakos

3-Input AND Molecular Logic Gate with Enhanced Fluorescence Output: The Key Atom for the Accurate Prediction of the Spectra.

Journal of chemical information and modeling

Avec: Christina Eleftheria Tzeliou , Demeter Tzeli

Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XH

The Journal of chemical physics

Avec: Demeter Tzeli , Sotiris S Xantheas

Conformational Properties and Putative Bioactive Targets for Novel Thiosemicarbazone Derivatives.

Molecules (Basel, Switzerland)

Avec: Nikitas Georgiou , Antigoni Cheilari , Danai Karta , Eleni Chontzopoulou , Janez Plavec , Demeter Tzeli , Stamatia Vassiliou , Thomas Mavromoustakos

An Efficient Light-Mediated Protocol for the Direct Amide Bond Formation via a Novel Carboxylic Acid Photoactivation Mode by Pyridine-CBr

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Olga G Mountanea , Danai Psathopoulou , Christiana Mantzourani , Maroula G Kokotou , E Alexandros Routsi , Demeter Tzeli , Christoforos G Kokotos , George Kokotos

Photoswitchable Molecular Units with Tunable Nonlinear Optical Activity: A Theoretical Investigation.

Molecules (Basel, Switzerland)

Avec: Aggelos Avramopoulos , Heribert Reis , Demeter Tzeli , Robert Zaleśny , Manthos G Papadopoulos

Quadruple Bonding in the Ground and Low-Lying Excited States of the Diatomic Molecules TcN, RuC, RhB, and PdBe.

The journal of physical chemistry. A

Avec: Demeter Tzeli , Ioannis Karapetsas

Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH

Journal of chemical theory and computation

Avec: Demeter Tzeli , Simone Raugei , Sotiris S Xantheas

Review on the QM/MM Methodologies and Their Application to Metalloproteins.

Molecules (Basel, Switzerland)

Avec: Christina Eleftheria Tzeliou , Markella Aliki Mermigki , Demeter Tzeli

Conformational Properties of New Thiosemicarbazone and Thiocarbohydrazone Derivatives and Their Possible Targets.

Molecules (Basel, Switzerland)

Avec: Nikitas Georgiou , Aikaterini Katsogiannou , Dimitrios Skourtis , Hermis Iatrou , Demeter Tzeli , Stamatia Vassiliou , Uroš Javornik , Janez Plavec , Thomas Mavromoustakos

Analysis of chemical bonding of the ground and low-lying states of Mo

The Journal of chemical physics

Avec: Teo Depastas , Alexandros Androutsopoulos , Demeter Tzeli

Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh

Dalton transactions (Cambridge, England : 2003)

Avec: Eleftherios Ferentinos , Demeter Tzeli , Silvia Sottini , Edgar J J Groenen , Mykhaylo Ozerov , Giordano Poneti , Kinga Kaniewska-Laskowska , J Krzystek , Panayotis Kyritsis

Aromaticity and Chemical Bonding of Chalcogen-Bonded Capsules Featuring Enhanced Magnetic Anisotropy.

Chemphyschem : a European journal of chemical physics and physical chemistry

Avec: Demeter Tzeli , Ioannis D Petsalakis , Giannoula Theodorakopoulos , Faiz-Ur Rahman , Pablo Ballester , Julius Rebek , Yang Yu

The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron-Sulfur Cubanes.

Journal of chemical theory and computation

Avec: Carlos Mejuto-Zaera , Demeter Tzeli , David Williams-Young , Norm M Tubman , Mikuláš Matoušek , Jiri Brabec , Libor Veis , Sotiris S Xantheas , Wibe A de Jong

Structure assignment, conformational properties and discovery of potential targets of the Ugi cinnamic adduct NGI25.

Journal of biomolecular structure & dynamics

Avec: Nikitas Georgiou , Niki Gouleni , Eleni Chontzopoulou , George S Skoufas , Anastasios Gkionis , Demeter Tzeli , Stamatia Vassiliou , Thomas Mavromoustakos

Losartan Interactions with 2-Hydroxypropyl-β-CD.

Molecules (Basel, Switzerland)

Avec: Vasiliki Palli , Georgios Leonis , Nikoletta Zoupanou , Nikitas Georgiou , Maria Chountoulesi , Nikolaos Naziris , Demeter Tzeli , Costas Demetzos , Georgia Valsami , Konstantinos D Marousis , Georgios A Spyroulias , Thomas Mavromoustakos

The role of electric field, peripheral chains, and magnetic effects on significant

Physical chemistry chemical physics : PCCP

Avec: Demeter Tzeli , Ioannis D Petsalakis , Giannoula Theodorakopoulos , Faiz-Ur Rahman , Yang Yu , Julius Rebek

The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca.

The Journal of chemical physics

Avec: Joani Mato , Demeter Tzeli , Sotiris S Xantheas

Computational and Spectroscopic Studies on the Formation of Halogen-Bonded Complexes Between Tertiary Amines and CBr4 and Application in the Light-mediated Amino Acid Coupling.

ChemPlusChem

Avec: E Alexandros Routsi , Christiana Mantzourani , Marie Rrapi , Olga G Mountanea , Maroula G Kokotou , Demeter Tzeli , Christoforos G Kokotos , George Kokotos

Microwave-Assisted, Copper-Catalyzed Domino O-H/C-H Arylation Reaction toward the Synthesis of Oxygen-Doped Polyaromatic Molecules.

The Journal of organic chemistry

Avec: Entzy Kaplanai , Efstathios Tonis , Maria Drymona , Yulian Zagranyarski , Demeter Tzeli , Georgios C Vougioukalakis

Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption Spectra.

Molecules (Basel, Switzerland)

Avec: Christina Eleftheria Tzeliou , Demeter Tzeli

Docking, MD Simulations, and DFT Calculations: Assessing W254's Function and Sartan Binding in Furin.

Current issues in molecular biology

Avec: Nikitas Georgiou , Thomas Mavromoustakos , Demeter Tzeli

Electron Donor-Acceptor Complex-Assisted Photochemical Conversion of O-2-Nitrobenzyl Protected Hydroxamates to Amides.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Anna-Dimitra D Gerogiannopoulou , Olga G Mountanea , E Alexandros Routsi , Demeter Tzeli , Christoforos G Kokotos , George Kokotos

Réseau de co-auteurs

Nikitas Georgiou 9 collaborations

Thomas Mavromoustakos 9 collaborations

Stamatia Vassiliou 5 collaborations

Ioannis D Petsalakis 4 collaborations

Janez Plavec 4 collaborations

Eleni Chontzopoulou 4 collaborations

Christina Eleftheria Tzeliou 4 collaborations

Sotiris S Xantheas 4 collaborations

Faiz-Ur Rahman 3 collaborations

Giannoula Theodorakopoulos 3 collaborations

Julius Rebek 3 collaborations

Yang Yu 3 collaborations

Danai Karta 3 collaborations

Antigoni Cheilari 3 collaborations

Uroš Javornik 3 collaborations

Ioannis Karapetsas 3 collaborations

Alexandros Androutsopoulos 3 collaborations

Olga G Mountanea 3 collaborations

E Alexandros Routsi 3 collaborations

Christoforos G Kokotos 3 collaborations

George Kokotos 3 collaborations

Pablo Ballester 2 collaborations

Nikoletta Zoupanou 2 collaborations

Georgia Valsami 2 collaborations

Andreas G Tzakos 2 collaborations

Michael D Morse 2 collaborations

Aikaterini Katsogiannou 2 collaborations

Dimitra Hadjipavlou-Litina 2 collaborations

Georgios C Vougioukalakis 2 collaborations

Christiana Mantzourani 2 collaborations

Maroula G Kokotou 2 collaborations

Franci Merzel 1 collaboration

Vasiliki Vakali 1 collaboration

Michail Papadourakis 1 collaboration

Dimitrios A Diamantis 1 collaboration

Paraskevi Papakyriakopoulou 1 collaboration

Zoe Cournia 1 collaboration

Thomas Mauromoustakos 1 collaboration

Dakota M Merriles 1 collaboration

Joshua C Ewigleben 1 collaboration

Markella A Mermigki 1 collaboration

Ioannis E Gerontitis 1 collaboration

Petros G Tsoungas 1 collaboration

George Varvounis 1 collaboration

Kyriaki Vavougyiou 1 collaboration

Constantinos Demetriou 1 collaboration

Kimberly H Tomchak 1 collaboration

Vasso Apostolopoulos 1 collaboration

Graham J Moore 1 collaboration

Konstantinos Kelaidonis 1 collaboration

Minos-Timotheos Matsoukas 1 collaboration

Sotirios Tsiodras 1 collaboration

Jordan Swiderski 1 collaboration

Laura Kate Gadanec 1 collaboration

Anthony Zulli 1 collaboration

Christos T Chasapis 1 collaboration

John M Matsoukas 1 collaboration

Marianna Danopoulou 1 collaboration

Leandros P Zorba 1 collaboration

Athanasia P Karantoni 1 collaboration

Christina D Papaemmanouil 1 collaboration

Maria V Chatziathanasiadou 1 collaboration

Dimitrios Kolokouris 1 collaboration

Sofia Kiriakidi 1 collaboration

Athina Konstantinidi 1 collaboration

Ioanna Gerogianni 1 collaboration

Theodore Tselios 1 collaboration

Ioannis K Kostakis 1 collaboration

Evangelia D Chrysina 1 collaboration

Danai Psathopoulou 1 collaboration

Aggelos Avramopoulos 1 collaboration

Heribert Reis 1 collaboration

Robert Zaleśny 1 collaboration

Manthos G Papadopoulos 1 collaboration

Simone Raugei 1 collaboration

Markella Aliki Mermigki 1 collaboration

Dimitrios Skourtis 1 collaboration

Hermis Iatrou 1 collaboration

Teo Depastas 1 collaboration

Eleftherios Ferentinos 1 collaboration

Silvia Sottini 1 collaboration

Edgar J J Groenen 1 collaboration

Mykhaylo Ozerov 1 collaboration

Giordano Poneti 1 collaboration

Kinga Kaniewska-Laskowska 1 collaboration

J Krzystek 1 collaboration

Panayotis Kyritsis 1 collaboration

Carlos Mejuto-Zaera 1 collaboration

David Williams-Young 1 collaboration

Norm M Tubman 1 collaboration

Mikuláš Matoušek 1 collaboration

Jiri Brabec 1 collaboration

Libor Veis 1 collaboration

Wibe A de Jong 1 collaboration

Niki Gouleni 1 collaboration

George S Skoufas 1 collaboration

Anastasios Gkionis 1 collaboration

Vasiliki Palli 1 collaboration

Georgios Leonis 1 collaboration

Maria Chountoulesi 1 collaboration

Nikolaos Naziris 1 collaboration

Costas Demetzos 1 collaboration

Konstantinos D Marousis 1 collaboration

Georgios A Spyroulias 1 collaboration

Joani Mato 1 collaboration

Marie Rrapi 1 collaboration

Entzy Kaplanai 1 collaboration

Efstathios Tonis 1 collaboration

Maria Drymona 1 collaboration

Yulian Zagranyarski 1 collaboration

Anna-Dimitra D Gerogiannopoulou 1 collaboration