Search Results - "Malenov, Dušan P"
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Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural Database
Published in Chemistry an international journal (01-11-2023)“…Cambridge Structural Database (CSD) is the largest repository of crystal data, containing over 1.2 million crystal structures of organic, metal–organic and…”
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Fabrication of Polycaprolactone-Based Polyurethanes with Enhanced Thermal Stability
Published in Polymers (26-06-2024)“…The benefit of being acquainted with thermal properties, especially the thermal stability of polyurethanes (PU), and simplified methods for their improvement…”
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Influence of metal ion on chelate–aryl stacking interactions
Published in International journal of quantum chemistry (15-08-2018)“…CCSD(T)/CBS and DFT methods are employed to study the stacking interactions of acetylacetonate‐type (acac‐type) chelates of nickel, palladium, and platinum…”
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Unexpected Importance of Aromatic–Aliphatic and Aliphatic Side Chain–Backbone Interactions in the Stability of Amyloids
Published in Chemistry : a European journal (16-08-2017)“…The role of aromatic and nonaromatic amino acids in amyloid formation has been elucidated by calculating interaction energies between β‐sheets in amyloid model…”
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Stacking of Metal Chelates with Benzene: Can Dispersion-Corrected DFT Be Used to Calculate Organic-Inorganic Stacking?
Published in Chemphyschem (16-03-2015)“…CCSD(T)/CBS energies for stacking of nickel and copper chelates are calculated and used as benchmark data for evaluating the performance of…”
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Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves
Published in Chemphyschem (25-08-2014)“…Accurate values for the energies of stacking interactions of nickel‐ and copper‐based six‐membered chelate rings with benzene are calculated at the CCSD(T)/CBS…”
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Study of stacking interactions between two neutral tetrathiafulvalene molecules in Cambridge Structural Database crystal structures and by quantum chemical calculations
Published in Acta crystallographica Section B, Structural science, crystal engineering and materials (01-02-2019)“…Tetrathiafulvalene (TTF) and its derivatives are very well known as electron donors with widespread use in the field of organic conductors and superconductors…”
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Stacking interactions of the methylated cyclopentadienyl ligands in the crystal structures of transition metal complexes
Published in Acta crystallographica Section B, Structural science, crystal engineering and materials (01-04-2020)“…In the crystal structures of methylated cyclopentadienyl (Cp) complexes (MeCp, Me4Cp and Me5Cp) deposited in the Cambridge Structural Database, certain…”
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Parallel interactions of aromatic and heteroaromatic molecules
Published in Hemijska industrija (2016)“…Parallel interactions of aromatic and heteroaromatic molecules are very important in chemistry and biology. In this review, recent findings on preferred…”
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New Type of Aromatic π‐Systems for Anion Recognition: Strong Anion‐π and C−H⋅⋅⋅Anion Interactions Between Halides and Aromatic Ligands in Half‐Sandwich Compounds
Published in Chemistry : a European journal (20-12-2021)“…Half‐sandwich compounds of benzene, cyclopentadienyl, pentamethylcyclopentadienyl, and indenyl were studied as a new type of aromatic π‐systems for…”
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Noncovalent bonding: Stacking interactions of chelate rings of transition metal complexes
Published in Coordination chemistry reviews (15-08-2017)“…•Chelate rings in square-planar transition-metal complexes stack with aromatic rings.•Chelate rings stack with other isolated or fused chelate rings in the CSD…”
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Stacking Interactions between Indenyl Ligands of Transition Metal Complexes: Crystallographic and Density Functional Study
Published in Crystal growth & design (01-07-2020)“…The analysis of crystal structures deposited in the Cambridge Structural Database showed that indenyl ligands of transition metal complexes prefer to form…”
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Can Coordinated Water be a Good Hydrogen Bond Acceptor? Crystallographic and Quantum Chemical Study
Published in Crystal growth & design (07-10-2024)“…In an attempt to reveal the hydrogen bond-accepting abilities of coordinated water, a survey of Cambridge Structural Database crystal structures yielded 1229…”
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Corrigendum: ∧Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential‐Energy Curves
Published in Chemphyschem (07-08-2018)Get full text
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Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, even at Large Horizontal Displacements
Published in Crystal growth & design (03-08-2016)“…Stacking interactions between two benzene molecules that coordinate transition metal ions within organometallic sandwich and half-sandwich compounds were…”
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Stacking interactions of aromatic ligands in transition metal complexes
Published in Coordination chemistry reviews (15-09-2020)“…•Stacking interactions are stronger if aromatics are coordinated to transition metals.•Benzene and Cp in sandwich compounds form strong stacking at large…”
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Crystallographic, spectroscopic, thermal and computational studies of polymeric cobalt(II)–mellitate complex with 2,2′-bipyridine
Published in Journal of molecular structure (15-03-2022)“…•Polymeric Co(II) complex with anion of H6mell was synthesized and characterized.•3D supramolecular network is comprised of supramolecular and water…”
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Stacking interactions of chelate rings of transition metal complexes
Published in Acta crystallographica. Section A, Foundations and advances (14-08-2021)“…Abstract only…”
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Mutual influence of parallel, CH/O, OH/π and lone pair/π interactions in water/benzene/water system
Published in Computational and theoretical chemistry (15-08-2013)“…[Display omitted] •Systems containing two benzene/water interactions were studied.•Two OH/π, two CH/O and two LP/π interactions weaken each other.•OH/π…”
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