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DFT Studies of Dimethylaminophenyl-Substituted Phthalocyanine and Its Silver Complexes

Molecules (Basel, Switzerland), 2024-03, Vol.29 (6), p.1344

Breza, Martin

2024

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On the Jahn–Teller Effect in Silver Complexes of Dimethyl Amino Phenyl Substituted Phthalocyanine

Molecules (Basel, Switzerland), 2023-10, Vol.28 (20), p.7019

Breza, Martin

2023

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On the Potential Role of the (Pseudo-) Jahn–Teller Effect in the Membrane Transport Processes: Enniatin B and Beauvericin

Molecules (Basel, Switzerland), 2023-08, Vol.28 (17), p.6264

2023

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How Does Pseudo-Jahn-Teller Effect Induce the Photoprotective Potential of Curcumin?

Molecules (Basel, Switzerland), 2023-03, Vol.28 (7), p.2946

2023

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A Supramolecular Approach to Structure-Based Design with A Focus on Synthons Hierarchy in Ornithine-Derived Ligands: Review, Synthesis, Experimental and in Silico Studies

Molecules (Basel, Switzerland), 2020-03, Vol.25 (5), p.1135

2020

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Hydrazine Oxidation in Aqueous Solutions I: N4H6 Decomposition

Inorganics, 2023-10, Vol.11 (10), p.413

2023

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Pseudo-Jahn-Teller effect in deprotonated dimethyl amino phenyl substituted phthalocyanine

Journal of physics. Conference series, 2024-05, Vol.2769 (1), p.012006

Breza, Martin

2024

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Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations

Crystals (Basel), 2024-08, Vol.14 (8), p.733

2024

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Structural and Biofunctional Insights into the Cyclo(Pro-Pro-Phe-Phe-) Scaffold from Experimental and In Silico Studies: Melanoma and Beyond

International journal of molecular sciences, 2022-07, Vol.23 (13), p.7173

2022

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Lawsone Derivatives as Efficient Photopolymerizable Initiators for Free-Radical, Cationic Photopolymerizations, and Thiol—Ene Reactions

Polymers, 2021-06, Vol.13 (12), p.2015

2021

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Ligand Substituent Effects in Manganese Pyridinophane Complexes: Implications for Oxygen-Evolving Catalysis

Inorganic chemistry, 2017-11, Vol.56 (22), p.14315-14325

2017

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Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes

Inorganic chemistry, 2017-04, Vol.56 (8), p.4751-4768

2017

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QTAIM study of Al Al bonding in [LiAl2H4]− complex anions

Polyhedron, 2019-06, Vol.165, p.17-21

Breza, Martin

2019

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A Proline-Based Tectons and Supramolecular Synthons for Drug Design 2.0: A Case Study of ACEI

Pharmaceuticals (Basel, Switzerland), 2020-10, Vol.13 (11), p.338

2020

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QTAIM study of AlAl bonding in [LiAl2H4]− complex anions

Polyhedron, 2019-06, Vol.165, p.17-21

Breza, Martin

2019

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Quantum-chemical studies of rutile nanoparticles toxicity II. Comparison of B3LYP and PM6 data

Acta Chimica Slovaca, 2021-01, Vol.14 (1), p.38-50

Breza, Martin

2021

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The Immunosuppressive Properties of Cyclo-[D-Pro-Pro-β3-HoPhe-Phe-] Tetrapeptide Selected from Stereochemical Variants of Cyclo-[Pro-Pro-β3-HoPhe-Phe-] Peptide

Pharmaceutics, 2024-08, Vol.16 (8), p.1106

2024

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Electronic structure of Schiff-base peroxo{2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idene)]bis-(6-meth-oxy-phenolato)}titanium(IV) monohydrate: a possible model structure of the reaction center for the theoretical study of hemoglobin

IUCrJ, 2021-03, Vol.8 (Pt 2), p.295-304

2021

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Quantum‐chemical study of octafluoro‐spirobi[triphosphazene]

International journal of quantum chemistry, 2021-05, Vol.121 (10), p.n/a

2021

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The First Insight Into the Supramolecular System of D,L -α-Difluoromethylornithine: A New Antiviral Perspective

Frontiers in chemistry, 2021-05, Vol.9, p.679776

2021

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Application of the Gould–Jacobs reaction to 4-amino-2,1,3-benzoselenadiazole

Tetrahedron, 2010-10, Vol.66 (41), p.8169-8174

2010

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Quantum‐chemical studies of the antioxidant effectiveness of para‐phenylene diamines

Journal of vinyl & additive technology, 2022-05, Vol.28 (2), p.352-366

2022

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Comparative DFT study of the effectiveness of p-phenylenediamine antioxidants through their coordination ability towards the late 1st row transition metals

Polymer degradation and stability, 2021-01, Vol.183, p.109438, Article 109438

2021

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Study of reactions of pentafluorophenylhydrazine with activated enolethers. Synthesis of N-pentafluorophenylpyrazoles

ARKIVOC free online journal of organic chemistry, 2016-12, Vol.2017 (2), p.446-456

2016

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DFT studies of camptothecins cytotoxicity II. Protonated lactone forms of camptothecin

Computational and theoretical chemistry, 2022-05, Vol.1211, p.113677, Article 113677

2022

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DFT Studies of Dimethylaminophenyl-Substituted Phthalocyanine and Its Silver Complexes

On the Jahn–Teller Effect in Silver Complexes of Dimethyl Amino Phenyl Substituted Phthalocyanine

On the Potential Role of the (Pseudo-) Jahn–Teller Effect in the Membrane Transport Processes: Enniatin B and Beauvericin

How Does Pseudo-Jahn-Teller Effect Induce the Photoprotective Potential of Curcumin?

A Supramolecular Approach to Structure-Based Design with A Focus on Synthons Hierarchy in Ornithine-Derived Ligands: Review, Synthesis, Experimental and in Silico Studies

Hydrazine Oxidation in Aqueous Solutions I: N4H6 Decomposition

Pseudo-Jahn-Teller effect in deprotonated dimethyl amino phenyl substituted phthalocyanine

Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations

Structural and Biofunctional Insights into the Cyclo(Pro-Pro-Phe-Phe-) Scaffold from Experimental and In Silico Studies: Melanoma and Beyond

Lawsone Derivatives as Efficient Photopolymerizable Initiators for Free-Radical, Cationic Photopolymerizations, and Thiol—Ene Reactions

Ligand Substituent Effects in Manganese Pyridinophane Complexes: Implications for Oxygen-Evolving Catalysis

Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes

QTAIM study of Al Al bonding in [LiAl2H4]− complex anions

A Proline-Based Tectons and Supramolecular Synthons for Drug Design 2.0: A Case Study of ACEI

QTAIM study of AlAl bonding in [LiAl2H4]− complex anions

Quantum-chemical studies of rutile nanoparticles toxicity II. Comparison of B3LYP and PM6 data

The Immunosuppressive Properties of Cyclo-[D-Pro-Pro-β3-HoPhe-Phe-] Tetrapeptide Selected from Stereochemical Variants of Cyclo-[Pro-Pro-β3-HoPhe-Phe-] Peptide

Electronic structure of Schiff-base peroxo{2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idene)]bis-(6-meth-oxy-phenolato)}titanium(IV) monohydrate: a possible model structure of the reaction center for the theoretical study of hemoglobin

Quantum‐chemical study of octafluoro‐spirobi[triphosphazene]

The First Insight Into the Supramolecular System of D,L -α-Difluoromethylornithine: A New Antiviral Perspective

Application of the Gould–Jacobs reaction to 4-amino-2,1,3-benzoselenadiazole

Quantum‐chemical studies of the antioxidant effectiveness of para‐phenylene diamines

Comparative DFT study of the effectiveness of p-phenylenediamine antioxidants through their coordination ability towards the late 1st row transition metals

Study of reactions of pentafluorophenylhydrazine with activated enolethers. Synthesis of N-pentafluorophenylpyrazoles

DFT studies of camptothecins cytotoxicity II. Protonated lactone forms of camptothecin

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