Search Results - "Zouchoune, Bachir" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Theoretical investigation on the biological activities of ginger and some of its combinations: an overview of the antioxidant activity

Theoretical investigation on the biological activities of ginger and some of its combinations: an overview of the antioxidant activity

by Zouchoune, Bachir
Published in Structural chemistry (01.08.2021)

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How the ascorbic acid and hesperidin do improve the biological activities of the cinnamon: theoretical investigation

How the ascorbic acid and hesperidin do improve the biological activities of the cinnamon: theoretical investigation

by Zouchoune, Bachir
Published in Structural chemistry (2020)

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Atom-Precise Ligated Copper and Copper-Rich Nanoclusters with Mixed-Valent Cu(I)/Cu(0) Character: Structure-Electron Count Relationships

Atom-Precise Ligated Copper and Copper-Rich Nanoclusters with Mixed-Valent Cu(I)/Cu(0) Character: Structure-Electron Count Relationships

by Zouchoune, Bachir, Saillard, Jean-Yves
Published in Molecules (Basel, Switzerland) (26.01.2024)

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Coordination’s preference and electronic structure of N-heterocyclic carbene–monometallic complexes: DFT evaluation of σ-bonding and π-backbonding interactions

Coordination’s preference and electronic structure of N-heterocyclic carbene–monometallic complexes: DFT evaluation of σ-bonding and π-backbonding interactions

by Mokrane, Zahia, Zouchoune, Bachir, Zaiter, Abdallah
Published in Theoretical chemistry accounts (01.07.2020)

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Molecular and electronic structures, bonding analysis, and UV–Vis spectra predictions of quinolino[3,2-b]benzodiazepine and quinolino[3,2-b]benzoxazepine metal transition M(L)2Cl2 and M(L)Cl2 complexes

Molecular and electronic structures, bonding analysis, and UV–Vis spectra predictions of quinolino[3,2-b]benzodiazepine and quinolino[3,2-b]benzoxazepine metal transition M(L)2Cl2 and M(L)Cl2 complexes

by Hafsi, Yasmina, Mecheri, Sabri, Zouchoune, Bachir
Published in Structural chemistry (01.12.2023)

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Molecular structures, chemical descriptors, and pancreatic lipase (1LPB) inhibition by natural products: a DFT investigation and molecular docking prediction

Molecular structures, chemical descriptors, and pancreatic lipase (1LPB) inhibition by natural products: a DFT investigation and molecular docking prediction

by Allal, Hamza, Nemdili, Hacene, Zerizer, Mohamed Amine, Zouchoune, Bachir
Published in Structural chemistry (01.02.2024)

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Understanding the chemical bonding in sandwich complexes of transition metals coordinated to nine-membered rings: energy decomposition analysis and the donor–acceptor charge transfers

Understanding the chemical bonding in sandwich complexes of transition metals coordinated to nine-membered rings: energy decomposition analysis and the donor–acceptor charge transfers

by Khireche, Moncef, Zouchoune, Bachir, Ferhati, Azedine, Nemdili, Hacene, Zerizer, Mohamed Amine
Published in Theoretical chemistry accounts (01.09.2021)

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Bonding and electronic structures in dinuclear (X)[(Ind)M2L2] complexes (M = Ni, Pd, L = CO, PEt3, X = Cl, Allyl, Ind = indenyl, Cp = cyclopentadienyl): analogy between four-electron donor ligands

Bonding and electronic structures in dinuclear (X)[(Ind)M2L2] complexes (M = Ni, Pd, L = CO, PEt3, X = Cl, Allyl, Ind = indenyl, Cp = cyclopentadienyl): analogy between four-electron donor ligands

by Mecheri, Sabri, Zouchoune, Bachir, Zendaoui, Saber-Mustapha
Published in Theoretical chemistry accounts (2020)

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A proposed process for trichlorfon and β-cyclodextrinInclusion complexation by DFT investigation

A proposed process for trichlorfon and β-cyclodextrinInclusion complexation by DFT investigation

by Chekkal, Faiza, Naili, Noura, Benaissa, Amina, Zerizer, Mohamed Amine, Zouchoune, Bachir, Redjem, Nawel
Published in Structural chemistry (2024)

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Computational investigation of dimethoate and β-cyclodextrin inclusion complex: molecular structures, intermolecular interactions, and electronic analysis

Computational investigation of dimethoate and β-cyclodextrin inclusion complex: molecular structures, intermolecular interactions, and electronic analysis

by Benaïssa, Amina, Bouhadiba, Abdelaziz, Naili, Noura, Chekkal, Faiza, Khelfaoui, Malika, Bouras, Ibtissem, Madjram, Mohamed Salah, Zouchoune, Bachir, Mogalli, Sulaiman, Malfi, Najran, Nouar, Leila, Madi, Fatiha
Published in Structural chemistry (01.06.2023)

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Atomic contributions to ZnO mechanical properties at negative and positive pressures

Atomic contributions to ZnO mechanical properties at negative and positive pressures

by Lakehal, Houssem, Chorfi, Hocine, Zouchoune, Bachir, Lobato, Álvaro, Franco, Ruth, Pertierra, Pilar, Salvadó, Miguel Á., Recio, J. Manuel
Published in Results in physics (01.05.2024)

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Synthesis, spectroscopic characterization, crystal structure and theoretical investigation of two azo-palladium (II) complexes derived from substituted (1-phenylazo)-2-naphtol

Synthesis, spectroscopic characterization, crystal structure and theoretical investigation of two azo-palladium (II) complexes derived from substituted (1-phenylazo)-2-naphtol

by Chetioui, Souheila, Zouchoune, Bachir, Merazig, Hocine, Bouaoud, Salah-Eddine, Rouag, DjamilAzeddine, Djukic, Jean-Pierre
Published in Transition metal chemistry (Weinheim) (01.02.2021)

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The Coordination Chemistry of Azulene: A Comprehensive DFT Investigation

The Coordination Chemistry of Azulene: A Comprehensive DFT Investigation

by Korichi, Hanane, Zouchoune, Fairouz, Zendaoui, Saber-Mustapha, Zouchoune, Bachir, Saillard, Jean-Yves
Published in Organometallics (12.04.2010)

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Synthesis, X-ray structure, in silico calculation, and carbonic anhydrase inhibitory properties of benzylimidazole metal complexes

Synthesis, X-ray structure, in silico calculation, and carbonic anhydrase inhibitory properties of benzylimidazole metal complexes

by Bouchouit, Mehdi, Bouacida, Sofiane, Zouchoune, Bachir, Merazig, Hocine, Bua, Silvia, Bouaziz, Zouhair, Le Borgne, Marc, Supuran, Claudiu T., Bouraiou, Abdelmalek
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2018)

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Terminal and bridging ligand effects on M(I)M(I) multiple bonding: A DFT investigation of the coordination in ( X )[ M 2 Cl ] L 2 complexes ( M = Cr , Fe , L = CO , PEt 3 , X = Cl , allyl, Cp , and indenyl)

Terminal and bridging ligand effects on M(I)M(I) multiple bonding: A DFT investigation of the coordination in ( X )[ M 2 Cl ] L 2 complexes ( M = Cr , Fe , L = CO , PEt 3 , X = Cl , allyl, Cp , and indenyl)

by Mecheri, Sabri, Zouchoune, Bachir
Published in International journal of quantum chemistry (15.05.2023)

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Donor-acceptor electron transfers and bonding performance of cyclopentadienyl and cyclo-P5 middle decks in (CpFeE5)ML3 and (CpFeE5)FeCb (E5 = Cp, P5 and ML3 = Cr(CO)3, Mo(CO)3, CrBz, MnCp, MoBz) triple-decker complexes: Bonding and energy decomposition analysis

Donor-acceptor electron transfers and bonding performance of cyclopentadienyl and cyclo-P5 middle decks in (CpFeE5)ML3 and (CpFeE5)FeCb (E5 = Cp, P5 and ML3 = Cr(CO)3, Mo(CO)3, CrBz, MnCp, MoBz) triple-decker complexes: Bonding and energy decomposition analysis

by Mecheri, Sabri, Zouchoune, Bachir
Published in Polyhedron (01.11.2023)

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Atom-Precise Ligated Copper and Copper-Rich Nanoclusters with Mixed-Valent Cu Character: Structure–Electron Count Relationships

Atom-Precise Ligated Copper and Copper-Rich Nanoclusters with Mixed-Valent Cu Character: Structure–Electron Count Relationships

by Zouchoune, Bachir, Saillard, Jean-Yves
Published in Molecules (Basel, Switzerland) (01.01.2024)

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Stability and possible multiple metal-metal bonding in tetranuclear sandwich complexes of cyclooctatetraene ligand

Stability and possible multiple metal-metal bonding in tetranuclear sandwich complexes of cyclooctatetraene ligand

by Zouchoune, Bachir
Published in Structural chemistry (01.06.2018)

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Coordination diversity of the phenazine ligand in binuclear transition metal sandwich complexes: Theoretical investigation

Coordination diversity of the phenazine ligand in binuclear transition metal sandwich complexes: Theoretical investigation

by Merzoug, Meriem, Zouchoune, Bachir
Published in Journal of organometallic chemistry (01.11.2014)

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Structural diversity of homobinuclear transition metal complexes of the phenazine ligand: theoretical investigation

Structural diversity of homobinuclear transition metal complexes of the phenazine ligand: theoretical investigation

by Naili, Noura, Zouchoune, Bachir
Published in Structural chemistry (01.06.2018)

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