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Host-guest complexes of a cryptand based on 5H-cyclopenta[2,1-b:3,4b′]pyridine moieties: prediction of ion selectivity by quantum chemical calculations XVI

Journal of coordination chemistry, 2024-04, Vol.77 (7-8), p.843-854

2024

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Mechanistic insight on the water exchange mechanism of [Zn(tren)H2O]2+ and related complexes from a DFT study

Journal of coordination chemistry, 2022-06, Vol.75 (5-6), p.573-586

2022

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Investigations on the Enantiomerization Mechanism of an Organophosphorus Cages - DFT Study

Zeitschrift für anorganische und allgemeine Chemie (1950), 2014-02, Vol.640 (2), p.412-416

Alzoubi, Basam M.

2014

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Designing Molecular Flip-Flops - DFT-Investigations on the Enantiomerization of Hetero Helicenes

Zeitschrift für anorganische und allgemeine Chemie (1950), 2014-04, Vol.640 (5), p.986-993

Alzoubi, Basam M.

2014

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Interactions of zinc(II) complexes with 5′-GMP and their cytotoxic activity

Journal of coordination chemistry, 2019-02, Vol.72 (4), p.690-706

2019

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Apparent or real water exchange reactions on [Zn(H2O)4(L)]2+·2H2O (L = sp-nitrogen donor ligands)? A quantum chemical investigation

Dalton transactions : an international journal of inorganic chemistry, 2012-01, Vol.41 (23), p.6932-6941

2012

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Ligand-exchange processes on solvated zinc cations: water exchange on [Zn(H2O)4(L)]2+.2H2O (L=heterocyclic ligand)

Chemistry : a European journal, 2010-06, Vol.16 (24), p.7300-7308

2010

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Aplicyanins – brominated natural marine products with superbasic character

Zeitschrift für Naturforschung. B, A journal of chemical sciences, 2016-08, Vol.71 (8), p.883-889

2016

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Mechanistic Studies on Water-Exchange Reactions in [Zn(H2O)4L]2+·2H2O for L = sp2, sp3 Oxygen-Donor Ligands: A DFT Approach

European journal of inorganic chemistry, 2013-04, Vol.2013 (12), p.2059-2069

2013

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Quantum chemical investigations of the water exchange mechanism on [AlIII(H2O)5(L)]2+ as a function of the donor strength of the anionic L

Journal of molecular modeling, 2014-03, Vol.20 (3), p.2083-2083, Article 2083

2014

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Quantum chemical studies on the enantiomerization mechanism of several [Zn(py)3(tach)]2+ derivatives

Dalton transactions : an international journal of inorganic chemistry, 2012-12, Vol.41 (46), p.14151-14156

2012

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HCN exchange on [Cu(HCN)4]+: a quantum chemical investigation

Journal of coordination chemistry, 2014-07, Vol.67 (13), p.2185-2194

2014

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Ligand Exchange Processes on Solvated Zinc Cations - DFT Analysis of Hydrogen Cyanide Exchange on [Zn(HCN)6]2

ZAAC - Journal of Inorganic and General Chemistry, 2009-09, Vol.635 (11), p.1536-1540

2009

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Structural study of 2-pyridine-derived N(4)-p-tolyl thiosemicarbazone zinc(II) complexes-DFT analysis

Journal of coordination chemistry, 2010-07, Vol.63 (14-16), p.2879-2887

2010

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Mechanistic Elucidation of the Substitution Behavior of Alkyl Cobaloximes in Water and Methanol as Solvents

Inorganic chemistry, 2004-09, Vol.43 (19), p.6093-6100

2004

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Coenzyme B12 Model Studies − Kinetics of Axial Ligation of Alkylcobalt Complexes Containing a Tridentate Amino-Oximate Ligand

European journal of inorganic chemistry, 2003-10, Vol.2003 (20), p.3738-3744

2003

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Kinetics and Mechanism of Axial Ligand Substitution of Alkyl Cobaloximes by Substituted Pyridines in Different Solvents

European journal of inorganic chemistry, 2004-02, Vol.2004 (3), p.653-659

2004

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Equilibrium, Kinetic and Leaving Group Effect Studies on Ligand Substitution Reactions of a Simple Model for Coenzyme B12

European journal of inorganic chemistry, 2002-03, Vol.2002 (4), p.968-974

2002

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Mechanistic Studies on Water‐Exchange Reactions in [Zn(H 2 O) 4 L] 2+ ·2H 2 O for L = sp 2 , sp 3 Oxygen‐Donor Ligands: A DFT Approach

European journal of inorganic chemistry, 2013-04, Vol.2013 (12), p.2059-2069

2013

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Mechanistic Studies on Water-Exchange Reactions in [Zn(H sub(2)O) sub(4)L] super(2+).2H sub(2)O for L = sp super(2), sp super(3) Oxygen-Donor Ligands: A DFT Approach

European journal of inorganic chemistry, 2013-04, Vol.2013 (12), p.2059-2069

2013

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Mechanistic Insight Gained into the Ligand Substitution Reactions of Bis(o-benzosemiquinonediiminato)(triphenylphosphane)cobalt(III) − Kinetic, Solvent, and Volume Profile Studies

European journal of inorganic chemistry, 2003-08, Vol.2003 (16), p.2972-2978

2003

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Apparent or real water exchange reactions on [Zn(H sub(2)O) sub(4)(L)] super(2+).2H sub(2)O (L = sp-nitrogen donor ligands)? A quantum chemical investigation

Dalton transactions : an international journal of inorganic chemistry, 2012-05, Vol.41 (23), p.6932-6941

2012

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Quantum chemical studies on the enantiomerization mechanism of several [Zn(py)3(tach)]2+ derivativesElectronic supplementary information (ESI) available. See DOI: 10.1039/c2dt31722b

2012-11

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Quantum chemical studies on the enantiomerization mechanism of several [Zn(py) sub(3)(tach)] super(2+) derivatives

Dalton transactions : an international journal of inorganic chemistry, 2012-11, Vol.41 (46), p.14151-14156

2012

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Ligand‐Exchange Processes on Solvated Zinc Cations: Water Exchange on [Zn(H 2 O) 4 (L)] 2+ ⋅2 H 2 O (L=Heterocyclic Ligand)

Chemistry : a European journal, 2010-06, Vol.16 (24), p.7300-7308

2010

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Host-guest complexes of a cryptand based on 5H-cyclopenta[2,1-b:3,4b′]pyridine moieties: prediction of ion selectivity by quantum chemical calculations XVI

Mechanistic insight on the water exchange mechanism of [Zn(tren)H2O]2+ and related complexes from a DFT study

Investigations on the Enantiomerization Mechanism of an Organophosphorus Cages - DFT Study

Designing Molecular Flip-Flops - DFT-Investigations on the Enantiomerization of Hetero Helicenes

Interactions of zinc(II) complexes with 5′-GMP and their cytotoxic activity

Apparent or real water exchange reactions on [Zn(H2O)4(L)]2+·2H2O (L = sp-nitrogen donor ligands)? A quantum chemical investigation

Ligand-exchange processes on solvated zinc cations: water exchange on [Zn(H2O)4(L)]2+.2H2O (L=heterocyclic ligand)

Aplicyanins – brominated natural marine products with superbasic character

Mechanistic Studies on Water-Exchange Reactions in [Zn(H2O)4L]2+·2H2O for L = sp2, sp3 Oxygen-Donor Ligands: A DFT Approach

Quantum chemical investigations of the water exchange mechanism on [AlIII(H2O)5(L)]2+ as a function of the donor strength of the anionic L

Quantum chemical studies on the enantiomerization mechanism of several [Zn(py)3(tach)]2+ derivatives

HCN exchange on [Cu(HCN)4]+: a quantum chemical investigation

Ligand Exchange Processes on Solvated Zinc Cations - DFT Analysis of Hydrogen Cyanide Exchange on [Zn(HCN)6]2

Structural study of 2-pyridine-derived N(4)-p-tolyl thiosemicarbazone zinc(II) complexes-DFT analysis

Mechanistic Elucidation of the Substitution Behavior of Alkyl Cobaloximes in Water and Methanol as Solvents

Coenzyme B12 Model Studies − Kinetics of Axial Ligation of Alkylcobalt Complexes Containing a Tridentate Amino-Oximate Ligand

Kinetics and Mechanism of Axial Ligand Substitution of Alkyl Cobaloximes by Substituted Pyridines in Different Solvents

Equilibrium, Kinetic and Leaving Group Effect Studies on Ligand Substitution Reactions of a Simple Model for Coenzyme B12

Mechanistic Studies on Water‐Exchange Reactions in [Zn(H 2 O) 4 L] 2+ ·2H 2 O for L = sp 2 , sp 3 Oxygen‐Donor Ligands: A DFT Approach

Mechanistic Studies on Water-Exchange Reactions in [Zn(H sub(2)O) sub(4)L] super(2+).2H sub(2)O for L = sp super(2), sp super(3) Oxygen-Donor Ligands: A DFT Approach

Mechanistic Insight Gained into the Ligand Substitution Reactions of Bis(o-benzosemiquinonediiminato)(triphenylphosphane)cobalt(III) − Kinetic, Solvent, and Volume Profile Studies

Apparent or real water exchange reactions on [Zn(H sub(2)O) sub(4)(L)] super(2+).2H sub(2)O (L = sp-nitrogen donor ligands)? A quantum chemical investigation

Quantum chemical studies on the enantiomerization mechanism of several [Zn(py)3(tach)]2+ derivativesElectronic supplementary information (ESI) available. See DOI: 10.1039/c2dt31722b

Quantum chemical studies on the enantiomerization mechanism of several [Zn(py) sub(3)(tach)] super(2+) derivatives

Ligand‐Exchange Processes on Solvated Zinc Cations: Water Exchange on [Zn(H 2 O) 4 (L)] 2+ ⋅2 H 2 O (L=Heterocyclic Ligand)

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