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Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study

Journal of chemical theory and computation, 2017-12, Vol.13 (12), p.6120-6130

2017

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Theoretical Study of the Full Photosolvolysis Mechanism of [Ru(bpy) 3 ] 2+ : Providing a General Mechanistic Roadmap for the Photochemistry of [Ru(N^N) 3 ] 2+ -Type Complexes toward Both Cis and Trans Photoproducts

Inorganic chemistry, 2020-10, Vol.59 (20), p.14679-14695

2020

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Pivotal Role of a Pentacoordinate 3MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study

Inorganic chemistry, 2016-05, Vol.55 (9), p.4448-4456

2016

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Linear and Third-Order Nonlinear Optical Properties of Fe(η5‑C5Me5)(κ2‑dppe)- and trans-Ru(κ2‑dppe)2‑Alkynyl Complexes Containing 2‑Fluorenyl End Groups

Organometallics, 2018-07, Vol.37 (14), p.2245-2262

2018

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A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes

Molecules (Basel, Switzerland), 2017-10, Vol.22 (10), p.1667

2017

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Electronic Structure and Geometry of the Lowest 2 LMCT State of Fe(III) Potential Fluorescent Emitters

Inorganic chemistry, 2023-03, Vol.62 (10), p.4284-4290

2023

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Electronic Structure and Geometry of the Lowest 2LMCT State of Fe(III) Potential Fluorescent Emitters

Inorganic chemistry, 2023-03, Vol.62 (10), p.4284-4290

2023

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Luminescent ruthenium-polypyridine complexes & phosphorus ligands: anything but a simple story

Chemical Society reviews, 2009-01, Vol.38 (6), p.1621-1634

2009

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Interaction of Cationic Nickel and Manganese Porphyrins with the Minor Groove of DNA

Inorganic chemistry, 2010-09, Vol.49 (18), p.8558-8567

2010

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Counterion Effects in [Ru(bpy)3](X)2‑Photocatalyzed Energy Transfer Reactions

JACS Au, 2024-08, Vol.4 (8), p.3049-3057

2024

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Adiabatic Versus Nonadiabatic Photoisomerization in Photochromic Ruthenium Sulfoxide Complexes: A Mechanistic Picture from Density Functional Theory Calculations

Journal of the American Chemical Society, 2011-06, Vol.133 (24), p.9172-9174

2011

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Photoinduced Ligand Exchange Dynamics of a Polypyridyl Ruthenium Complex in Aqueous Solution

The journal of physical chemistry letters, 2021-08, Vol.12 (30), p.7278-7284

2021

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Bridging the Gap: Making the Link in Mechanically Interlocked Chiral Molecules

Angewandte Chemie (International ed.), 2010-11, Vol.49 (47), p.8792-8794

2010

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Merging Grubbs second-generation catalyst with photocatalysis enables Z -selective metathesis of olefins: scope, limitations, and mechanism

Chemical science (Cambridge), 2022-10, Vol.13 (41), p.12065-12070

2022

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Porphyrin Derivatives for Telomere Binding and Telomerase Inhibition

Chembiochem : a European journal of chemical biology, 2005-01, Vol.6 (1), p.123-132

2005

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Unraveling C-Selective Ring-Opening of Phosphiranes with Carboxylic Acids and Other Nucleophiles: A Mechanistically-Driven Approach

Angewandte Chemie International Edition, 2024-10, p.e202414172

2024

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Integration of Logic Functions and Sequential Operation of Gates at the Molecular-Scale

Journal of the American Chemical Society, 1999-02, Vol.121 (6), p.1393-1394

1999

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On the Spin-State Dependence of Redox Potentials of Spin Crossover Complexes

Inorganic chemistry, 2020-12, Vol.59 (24), p.18402-18406

2020

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Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes

Inorganic chemistry, 2016-06, Vol.55 (11), p.5089-5091

2016

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Unravelling the Mechanism of Excited-State Interligand Energy Transfer and the Engineering of Dual Emission in [Ir(C∧N)2(N∧N)]+ Complexes

Inorganic chemistry, 2020-02, Vol.59 (3), p.1785-1803

2020

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Establishing the Two-Photon Linkage Isomerization Mechanism in the Nitrosyl Complex trans-[RuCl(NO)(py)4](2+) by DFT and TDDFT

Inorganic chemistry, 2015-09, Vol.54 (17), p.8310-8318

2015

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Broad HOMO-LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core

Dalton transactions : an international journal of inorganic chemistry, 2008-01 (41), p.5627-5635

2008

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Pivotal Role of a Pentacoordinate (3)MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study

Inorganic chemistry, 2016-05, Vol.55 (9), p.4448-4456

2016

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Porphyrinic Dyads and Triads Assembled around Iridium(III) Bis-terpyridine: Photoinduced Electron Transfer Processes

Inorganic chemistry, 2001-10, Vol.40 (22), p.5507-5517

2001

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Not All 3 MC States Are the Same: The Role of 3 MC cis States in the Photochemical N ∧ N Ligand Release from [Ru(bpy) 2 (N ∧ N)] 2+ Complexes

Inorganic chemistry, 2022-12, Vol.61 (49), p.19907-19924

2022

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Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study

Theoretical Study of the Full Photosolvolysis Mechanism of [Ru(bpy) 3 ] 2+ : Providing a General Mechanistic Roadmap for the Photochemistry of [Ru(N^N) 3 ] 2+ -Type Complexes toward Both Cis and Trans Photoproducts

Pivotal Role of a Pentacoordinate 3MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study

Linear and Third-Order Nonlinear Optical Properties of Fe(η5‑C5Me5)(κ2‑dppe)- and trans-Ru(κ2‑dppe)2‑Alkynyl Complexes Containing 2‑Fluorenyl End Groups

A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes

Electronic Structure and Geometry of the Lowest 2 LMCT State of Fe(III) Potential Fluorescent Emitters

Electronic Structure and Geometry of the Lowest 2LMCT State of Fe(III) Potential Fluorescent Emitters

Luminescent ruthenium-polypyridine complexes & phosphorus ligands: anything but a simple story

Interaction of Cationic Nickel and Manganese Porphyrins with the Minor Groove of DNA

Counterion Effects in [Ru(bpy)3](X)2‑Photocatalyzed Energy Transfer Reactions

Adiabatic Versus Nonadiabatic Photoisomerization in Photochromic Ruthenium Sulfoxide Complexes: A Mechanistic Picture from Density Functional Theory Calculations

Photoinduced Ligand Exchange Dynamics of a Polypyridyl Ruthenium Complex in Aqueous Solution

Bridging the Gap: Making the Link in Mechanically Interlocked Chiral Molecules

Merging Grubbs second-generation catalyst with photocatalysis enables Z -selective metathesis of olefins: scope, limitations, and mechanism

Porphyrin Derivatives for Telomere Binding and Telomerase Inhibition

Unraveling C-Selective Ring-Opening of Phosphiranes with Carboxylic Acids and Other Nucleophiles: A Mechanistically-Driven Approach

Integration of Logic Functions and Sequential Operation of Gates at the Molecular-Scale

On the Spin-State Dependence of Redox Potentials of Spin Crossover Complexes

Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes

Unravelling the Mechanism of Excited-State Interligand Energy Transfer and the Engineering of Dual Emission in [Ir(C∧N)2(N∧N)]+ Complexes

Establishing the Two-Photon Linkage Isomerization Mechanism in the Nitrosyl Complex trans-[RuCl(NO)(py)4](2+) by DFT and TDDFT

Broad HOMO-LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core

Pivotal Role of a Pentacoordinate (3)MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study

Porphyrinic Dyads and Triads Assembled around Iridium(III) Bis-terpyridine: Photoinduced Electron Transfer Processes

Not All 3 MC States Are the Same: The Role of 3 MC cis States in the Photochemical N ∧ N Ligand Release from [Ru(bpy) 2 (N ∧ N)] 2+ Complexes

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