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Modeling of Molecular Properties

Comba, Peter

2, 2011

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Iron-Catalyzed Halogenation of Alkanes: Modeling of Nonheme Halogenases by Experiment and DFT Calculations

Chemistry : a European journal, 2010-06, Vol.16 (24), p.7293-7299

2010

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Computation of structures and properties of transition metal compounds

Coordination chemistry reviews, 2009-03, Vol.253 (5), p.564-574

2009

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Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups

Inorganic chemistry, 2013-06, Vol.52 (11), p.6481-6501

2013

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Possible Functional Roles of Patellamides in the Ascidian- Prochloron Symbiosis

Marine drugs, 2022-02, Vol.20 (2), p.119

2022

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A Thermally Populated, Perpendicularly Twisted Alkene Triplet Diradical

Angewandte Chemie (International ed.), 2016-11, Vol.55 (47), p.14600-14605

International ed. in English, 2016

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Octadentate Picolinic Acid‐Based Bispidine Ligand for Radiometal Ions

Chemistry : a European journal, 2017-11, Vol.23 (63), p.15945-15956

2017

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Abiotic methanogenesis from organosulphur compounds under ambient conditions

Nature communications, 2014-06, Vol.5 (1), p.4205-4205, Article 4205

2014

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Oxidation of Cyclohexane by High-Valent Iron Bispidine Complexes: Tetradentate versus Pentadentate Ligands

Inorganic chemistry, 2009-11, Vol.48 (21), p.10389-10396

2009

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A Bispidine Iron(IV)-Oxo Complex in the Entatic State

Angewandte Chemie (International ed.), 2016-09, Vol.55 (37), p.11129-11133

International ed. in English, 2016

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A Metal‐Free Direct Arene C−H Amination

Advanced synthesis & catalysis, 2021-06, Vol.363 (11), p.2783-2795

2021

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Catalytic oxidation of alkanes by iron bispidine complexes and dioxygen: oxygen activation versus autoxidation

Chemical communications (Cambridge, England), 2014-01, Vol.50 (4), p.412-414

2014

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Characterization and Reactivity of a Tetrahedral Copper(II) Alkylperoxido Complex

Chemistry : a European journal, 2019-08, Vol.25 (47), p.11157-11165

2019

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Magnetic Interactions in a Series of Homodinuclear Lanthanide Complexes

Inorganic chemistry, 2015-12, Vol.54 (23), p.11247-11258

2015

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In vivo evaluation of riboflavin receptor targeted fluorescent USPIO in mice with prostate cancer xenografts

Nano research, 2016-05, Vol.9 (5), p.1319-1333

2016

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Influence of Ligand Architecture on Oxidation Reactions by High-Valent Nonheme Manganese Oxo Complexes Using Water as a Source of Oxygen

Angewandte Chemie (International ed.), 2015-02, Vol.54 (7), p.2095-2099

International ed. in English, 2015

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Mechanistic Investigation of the Nickel-Catalyzed Carbonylation of Alcohols

Organometallics, 2020-03, Vol.39 (6), p.870-880

2020

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Redox Potentials of High‐Valent Iron‐, Cobalt‐, and Nickel‐Oxido Complexes: Evidence for Exchange Enhanced Reactivity

Israel journal of chemistry, 2020-10, Vol.60 (10-11), p.957-962

2020

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Coordination compounds in the entatic state

Coordination chemistry reviews, 2000-05, Vol.200, p.217-245

Comba, Peter

2000

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Synthesis, Magnetic Properties, and Phosphoesterase Activity of Dinuclear Cobalt(II) Complexes

Inorganic chemistry, 2013-02, Vol.52 (4), p.2029-2043

2013

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Oxidation of Cyclohexane by a High-Valent Iron Bispidine Complex: A Combined Experimental and Computational Mechanistic Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-12, Vol.112 (50), p.13028-13036

2008

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High‐Valent Non‐Heme Metal‐Oxygen Species

Israel journal of chemistry, 2020-10, Vol.60 (10-11), p.937-937

Comba, Peter

2020

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Strains and stresses in coordination compounds

Coordination chemistry reviews, 1999-02, Vol.182 (1), p.343-371

Comba, Peter

1999

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Phosphatase reactivity of a dicopper(II) complex of a patellamide derivative--possible biological functions of cyclic pseudopeptides

Chemical communications (Cambridge, England), 2012-01, Vol.48 (75), p.9364-9366

2012

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Dioxygen Reactivity of New Bispidine-Copper Complexes

Inorganic chemistry, 2012-03, Vol.51 (5), p.2841-2851

2012

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Modeling of Molecular Properties

Iron-Catalyzed Halogenation of Alkanes: Modeling of Nonheme Halogenases by Experiment and DFT Calculations

Computation of structures and properties of transition metal compounds

Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups

Possible Functional Roles of Patellamides in the Ascidian- Prochloron Symbiosis

A Thermally Populated, Perpendicularly Twisted Alkene Triplet Diradical

Octadentate Picolinic Acid‐Based Bispidine Ligand for Radiometal Ions

Abiotic methanogenesis from organosulphur compounds under ambient conditions

Oxidation of Cyclohexane by High-Valent Iron Bispidine Complexes: Tetradentate versus Pentadentate Ligands

A Bispidine Iron(IV)-Oxo Complex in the Entatic State

A Metal‐Free Direct Arene C−H Amination

Catalytic oxidation of alkanes by iron bispidine complexes and dioxygen: oxygen activation versus autoxidation

Characterization and Reactivity of a Tetrahedral Copper(II) Alkylperoxido Complex

Magnetic Interactions in a Series of Homodinuclear Lanthanide Complexes

In vivo evaluation of riboflavin receptor targeted fluorescent USPIO in mice with prostate cancer xenografts

Influence of Ligand Architecture on Oxidation Reactions by High-Valent Nonheme Manganese Oxo Complexes Using Water as a Source of Oxygen

Mechanistic Investigation of the Nickel-Catalyzed Carbonylation of Alcohols

Redox Potentials of High‐Valent Iron‐, Cobalt‐, and Nickel‐Oxido Complexes: Evidence for Exchange Enhanced Reactivity

Coordination compounds in the entatic state

Synthesis, Magnetic Properties, and Phosphoesterase Activity of Dinuclear Cobalt(II) Complexes

Oxidation of Cyclohexane by a High-Valent Iron Bispidine Complex: A Combined Experimental and Computational Mechanistic Study

High‐Valent Non‐Heme Metal‐Oxygen Species

Strains and stresses in coordination compounds

Phosphatase reactivity of a dicopper(II) complex of a patellamide derivative--possible biological functions of cyclic pseudopeptides

Dioxygen Reactivity of New Bispidine-Copper Complexes

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