Works by Tzeli, Demeter
Results: 37
Spectroscopic Characterization Using 1 H and 13 C Nuclear Magnetic Resonance and Computational Analysis of the Complex of Donepezil with 2,6-Methyl-β-Cyclodextrin and Hydroxy Propyl Methyl Cellulose.
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- Molecules, 2025, v. 30, n. 5, p. 1169, doi. 10.3390/molecules30051169
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- Article
Electron Donor‐Acceptor Complex‐Assisted Photochemical Conversion of O‐2‐Nitrobenzyl Protected Hydroxamates to Amides.
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- Chemistry - A European Journal, 2024, v. 30, n. 69, p. 1, doi. 10.1002/chem.202402984
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- Article
An Efficient Light‐Mediated Protocol for the Direct Amide Bond Formation via a Novel Carboxylic Acid Photoactivation Mode by Pyridine‐CBr<sub>4</sub>.
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- Chemistry - A European Journal, 2023, v. 29, n. 35, p. 1, doi. 10.1002/chem.202300556
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- Article
Reactivity and Mechanism of Photo- and Electrocatalytic Hydrogen Evolution by a Diimine Copper(I) Complex.
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- Catalysts (2073-4344), 2020, v. 10, n. 11, p. 1302, doi. 10.3390/catal10111302
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- Article
Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy.
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- ChemPhysChem, 2020, v. 21, n. 19, p. 2187, doi. 10.1002/cphc.202000654
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- Article
The role of the host-guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acids.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 7, p. 1, doi. 10.1007/s00214-014-1503-8
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- Article
The solvent effect on a styryl‐bodipy derivative functioning as an AND molecular logic gate.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26181
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- Article
Theoretical study of the photophysical processes of a styryl‐bodipy derivative eliciting an AND molecular logic gate response.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 16, p. N.PAG, doi. 10.1002/qua.25958
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- Article
Theoretical study of free and encapsulated carboxylic acid and amide dimers.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 5, p. 734, doi. 10.1002/qua.24062
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- Article
Electronic Structure of the Low‐Lying States of the Triatomic MoS<sub>2</sub> Molecule: The Building Block of 2D MoS<sub>2</sub>.
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- ChemPhysChem, 2023, v. 24, n. 21, p. 1, doi. 10.1002/cphc.202300365
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- Article
Molecular Logic Gates Based on Ferrocene-Containing Compounds.
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- Inorganics, 2024, v. 12, n. 4, p. 106, doi. 10.3390/inorganics12040106
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- Article
Quadruple chemical bonding in the diatomic anions TcN<sup>−</sup>, RuC<sup>−</sup>, RhB<sup>−</sup>, and PdBe<sup>−</sup>.
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- Journal of Computational Chemistry, 2021, v. 42, n. 16, p. 1126, doi. 10.1002/jcc.26527
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- Article
A DFT Study towards the Amide cis‐trans Isomerization Process of the Myc‐Max Inhibitor Mycro 3 and Its Photophysical Properties; Synthesis and NMR Studies of the trans‐Conformation.
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- ChemistrySelect, 2022, v. 7, n. 25, p. 1, doi. 10.1002/slct.202201639
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- Article
N,N‐ and N,O‐6‐membered Ring peri‐Annelation in Naphthalene. Is it a Heteroring or merely a peri‐ Heterobridge?
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- ChemistrySelect, 2021, v. 6, n. 5, p. 951, doi. 10.1002/slct.202004237
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- Article
Naphthalene Peri Annelated N,N‐ and N,O‐Heterocycles: The Effect of Heteroatom‐Guided Peri‐Fusion on Their Structure and Reactivity Profiles‐A Theoretical Endoscopy.
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- ChemistrySelect, 2018, v. 3, n. 33, p. 9743, doi. 10.1002/slct.201801627
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- Article
Computational and Spectroscopic Studies on the Formation of Halogen‐Bonded Complexes Between Tertiary Amines and CBr<sub>4</sub> and Application in the Light‐Mediated Amino Acid Coupling.
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- ChemPlusChem, 2024, v. 89, n. 9, p. 1, doi. 10.1002/cplu.202400019
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- Article
Self Cycloaddition of o‐Naphthoquinone Nitrosomethide to (±) Spiro{naphthalene(naphthopyranofurazan)}‐one Oxide: An Insight into its Formation.
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- ChemPlusChem, 2022, v. 87, n. 12, p. 1, doi. 10.1002/cplu.202200313
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- Article
The Effect of A-Cation and X-Anion Substitutions on the Electronic and Structural Properties of A 2 ZrX 6 'Defect' Perovskite Materials: A Theoretical Density Functional Theory Study.
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- Materials (1996-1944), 2025, v. 18, n. 3, p. 726, doi. 10.3390/ma18030726
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- Article
Synthesis of Thiazolidin-4-Ones Derivatives, Evaluation of Conformation in Solution, Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets.
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- Molecules, 2024, v. 29, n. 11, p. 2458, doi. 10.3390/molecules29112458
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- Article
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.
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- Molecules, 2023, v. 28, n. 24, p. 8016, doi. 10.3390/molecules28248016
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- Article
Photoswitchable Molecular Units with Tunable Nonlinear Optical Activity: A Theoretical Investigation.
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- Molecules, 2023, v. 28, n. 15, p. 5646, doi. 10.3390/molecules28155646
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- Article
Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption Spectra.
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- Molecules, 2023, v. 28, n. 8, p. 3565, doi. 10.3390/molecules28083565
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- Article
Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin.
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- Molecules, 2022, v. 27, n. 17, p. 5490, doi. 10.3390/molecules27175490
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- Article
Conformational Properties and Putative Bioactive Targets for Novel Thiosemicarbazone Derivatives.
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- Molecules, 2022, v. 27, n. 14, p. N.PAG, doi. 10.3390/molecules27144548
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- Article
Review on the QM/MM Methodologies and Their Application to Metalloproteins.
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- Molecules, 2022, v. 27, n. 9, p. 2660, doi. 10.3390/molecules27092660
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- Article
Conformational Properties of New Thiosemicarbazone and Thiocarbohydrazone Derivatives and Their Possible Targets.
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- Molecules, 2022, v. 27, n. 8, p. N.PAG, doi. 10.3390/molecules27082537
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- Article
Losartan Interactions with 2-Hydroxypropyl-β-CD.
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- Molecules, 2022, v. 27, n. 8, p. N.PAG, doi. 10.3390/molecules27082421
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- Article
Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study.
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- Molecules, 2020, v. 25, n. 24, p. 5853, doi. 10.3390/molecules25245853
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- Article
Synthesis of Anti-Inflammatory Drugs' Chalcone Derivatives and a Study of Their Conformational Properties Through a Combination of Nuclear Magnetic Resonance Spectroscopy and Molecular Modeling.
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- Pharmaceuticals (14248247), 2025, v. 18, n. 1, p. 88, doi. 10.3390/ph18010088
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- Article
Evaluation of Crocin as green corrosion inhibitor for aluminum in NaCl solution.
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- Chemical Engineering Communications, 2023, v. 210, n. 10, p. 1756, doi. 10.1080/00986445.2022.2147834
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- Article
Physical Insights into Molecular Sensors, Molecular Logic Gates, and Photosensitizers in Photodynamic Therapy.
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- Journal of Chemistry, 2019, p. 1, doi. 10.1155/2019/6793490
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- Article
CH(X<sup>2</sup>∏, a<sup>4</sup>∑<sup>-</sup>) ... OH<sub>2</sub> and CH<sub>2</sub>(&Xtilde;<sup>3</sup>B<sub>1</sub>, ã<sup>1</sup>A<sub>1</sub>) ... OH<sub>2</sub> interactions. A first principles investigation.
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- International Journal of Quantum Chemistry, 2005, v. 104, n. 4, p. 497, doi. 10.1002/qua.20637
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- Article
Structure assignment, conformational properties and discovery of potential targets of the Ugi cinnamic adduct NGI25.
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- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 4, p. 1253, doi. 10.1080/07391102.2021.2017356
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- Article
Molecular investigation of artificial and natural sweeteners as potential anti-inflammatory agents.
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- Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 23, p. 12608, doi. 10.1080/07391102.2021.1973565
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- Article
Electronic States of Epigallocatechin-3-Gallate in Water and in 1,2-dipalmitoyl-sn-glycero-3-phospho-(1′-rac-glycerol) (Sodium Salt) Liposomes.
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- International Journal of Molecular Sciences, 2025, v. 26, n. 3, p. 1084, doi. 10.3390/ijms26031084
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- Article
A Critical Look at Density Functional Theory in Chemistry: Untangling Its Strengths and Weaknesses.
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- Atoms (2218-2004), 2024, v. 12, n. 12, p. 65, doi. 10.3390/atoms12120065
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- Article
Docking, MD Simulations, and DFT Calculations: Assessing W254's Function and Sartan Binding in Furin.
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- Current Issues in Molecular Biology, 2024, v. 46, n. 8, p. 8226, doi. 10.3390/cimb46080486
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- Article