Reactivity of di- and tri-nuclear complexes of heavy mid-transition elements: a case of oxo-carboxylato-bridged complexes
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January 1997 |
Structural and Magnetic Characterization of a μ-1,5-Dicyanamide-Bridged Iron Basic Carboxylate [Fe 3 O(O 2 C(CH 3 ) 3 ) 6 ] 1D Chain
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August 2008 |
The Mechanism of the Magnetodielectric Response in a Molecule‐Based Trinuclear Iron Cluster Material
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July 2020 |
A “Star” Antiferromagnet: A Polymeric Iron(III) Acetate That Exhibits Both Spin Frustration and Long-Range Magnetic Ordering
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August 2007 |
NMR Study of Ligand Exchange and Electron Self-Exchange between Oxo-Centered Trinuclear Clusters [Fe 3 (μ 3 -O)(μ-O 2 CR) 6 (4-R′py) 3 ] +/0
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September 2011 |
Synthesis, structure and valence-trapping vs. detrapping for new trinuclear iron pentafluoro benzoate complexes: possible recognition of organic molecules by 57 Fe Mössbauer spectroscopy
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January 2014 |
Pressure versus Temperature Effects on Intramolecular Electron Transfer in Mixed-Valence Complexes
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November 2012 |
Syntheses and Properties of a Series of Oxo-Centered Triruthenium Complexes and Their Bridged Dimers with Isocyanide Ligands at Terminal and Bridging Positions
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August 1999 |
Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene
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January 2004 |
Electronic Structural Effects in Self-Exchange Reactions †
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November 2010 |
Monomeric and extended oxo-centered triruthenium clusters
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October 2001 |
Electron transfer in mixed-valence, oxo-centered, trinuclear iron acetate complexes: effect of statically disordered to dynamically disordered transformation in the solid state
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December 1984 |
Phase transitions affecting intramolecular electron transfer in mixed-valence trinuclear iron acetate complexes
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September 1985 |
Mixed-Metal Trinuclear Complexes Containing Two Ruthenium(III) Ions and a Divalent Metal Ion, [Ru2M(.mu.3-O)(.mu.-CH3COO)6(L)3] (M = Mg, Mn, Co, Ni, Zn; L = H2O, Pyridine)
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March 1994 |
A Pyrazolate-Supported Fe 3 (μ 3 -O) Core: Structural, Spectroscopic, Electrochemical, and Magnetic Study
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November 2007 |
Anion Encapsulation by Neutral Supramolecular Assemblies of Cyclic CuII Complexes: A Series of Five Polymerization Isomers,[{cis-CuII(μ-OH)(μ-pz)}n],n=6, 8, 9, 12, and 14
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January 2004 |
Stepwise, ring-closure synthesis and characterization of a homoleptic palladium(ii)-pyrazolato cyclic trimer
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April 2002 |
Tri-, deca- and dodecanuclear Co(iii)–pyrazolate metallacycles
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January 2010 |
Electrospray Ionization Mass Spectrometric Study of the Gas-Phase Coordination Chemistry of Be 2+ Ions with 1,2- and 1,3-Diketone Ligands
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April 2019 |
Using electrospray ionisation mass spectrometry as a synthesis-targeting technique – An update on the chemistry of the platinum chalcogenide dimers [Pt2(μ2-E)2(PPh3)4] (E=S, Se)
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February 2014 |
New features in the redox coordination chemistry of metal nitrosyls {M–NO+; M–NO; M–NO−(HNO)}
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July 2007 |
Structural, Spectroscopic, and Photochemical Investigation of an Octahedral NO-Releasing {RuNO} 7 Species
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July 2016 |
Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles
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May 2013 |
Ruthenium-Nitrosyl Complexes with Glycine, l -Alanine, l -Valine, l -Proline, d -Proline, l -Serine, l -Threonine, and l -Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity
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February 2014 |
Heteropentanuclear Oxalato-Bridged n d-4f ( n =4, 5) Metal Complexes with NO Ligand: Synthesis, Crystal Structures, Aqueous Stability and Antiproliferative Activity
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August 2015 |
Renaissance in NO Chemistry
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November 2021 |
Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media
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January 2020 |
Photoactive ruthenium nitrosyls: Effects of light and potential application as NO donors
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October 2008 |
NO Releasing and Anticancer Properties of Octahedral Ruthenium–Nitrosyl Complexes with Equatorial 1 H -Indazole Ligands
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August 2018 |
A New Approach for Studying Fast Biological Reactions Involving Nitric Oxide: Generation of NO Using Photolabile Ruthenium and Manganese NO Donors
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January 2006 |
Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes?
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October 2016 |
Photoinduced inhibition of DNA repair enzymes and the possible mechanism of photochemical transformations of the ruthenium nitrosyl complex [RuNO(β-Pic) 2 (NO 2 ) 2 OH]
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January 2019 |
Nitric oxide (NO) photo-release in a series of ruthenium–nitrosyl complexes: new experimental insights in the search for a comprehensive mechanism
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January 2019 |
Photogeneration of two metastable NO linkage isomers with high populations of up to 76% in trans-[RuCl(py) 4 (NO)][PF 6 ] 2 ·½H 2 O
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January 2007 |
[Ru(py) 4 Cl(NO)](PF 6 ) 2 ·0.5H 2 O: a model system for structural determination and ab initio calculations of photo-induced linkage NO isomers
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September 2009 |
Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes
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April 2012 |
Remarkable thermal stability of light-induced Ru–ON linkage isomers in mixed salts of a ruthenium amine complex with a trans -ON–Ru–F coordinate
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January 2021 |
Photoinduced Nitrosyl Linkage Isomers Uncover a Variety of Unconventional Photorefractive Media
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March 2007 |
Bifunctional Materials Based on the Photochromic Cation [RuNO(NH 3 ) 5 ] 3+ with Paramagnetic Metal Complex Anions
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October 2006 |
Photoinduced nitrosyl linkage isomers in complexes based on the photochromic cation [RuNO(NH3)5]3+ with the paramagnetic anion [Cr(CN)6]3− and the diamagnetic anions [Co(CN)6]3− and [ZrF6]2−
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November 2007 |
Heterometallic Complexes of Ruthenium and Lanthanides (Ce, Pr, Nd, Eu) with NO 2 Bridges – Synthesis, Structures, Properties
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March 2012 |
Tetranuclear Ru 2 Ln 2 complexes of heavier lanthanides (Gd, Tb, Dy, Ho, Lu) with [RuNO(NO 2 ) 4 OH] 2− anion, combining SMM properties and photoswitchable Ru-NO group
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July 2018 |
A nitric oxide releaser based on the μ-oxo-hexaacetate-bis(4-methylpyridine)triruthenium nitrosyl complex
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June 2005 |
Nitric Oxide Production by Visible Light Irradiation of Aqueous Solution of Nitrosyl Ruthenium Complexes
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November 2005 |
Solution and solid-state light-induced transformations in heterometallic vanadium-ruthenium nitrosyl complex
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February 2021 |
Komplexverbindungen des Rutheniums mit fünfzähligen heterocyclischen Basen II. Reaktionen des Ruthenium(III)-chlorids mit Pyrazol und Imidazol
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January 1961 |
Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [Ru III/II Cl 6- n (Azole) n ] z ( n = 3, 4, 6) Complexes †
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September 2005 |
Gallium(III) Tetraphenylporphyrinates Containing Hydrosulfide and Thiolate Ligands: Structural Models for Sulfur-Bound Iron(III) Hemes
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February 2016 |
Ferredoxin/ferredoxin-thioredoxin reductase complex: Complete NMR mapping of the interaction site on ferredoxin by gallium substitution
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November 2006 |
Gallium and its competing roles with iron in biological systems
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August 2016 |
X-ray Structure and Nuclear Magnetic Resonance Analysis of the Interaction Sites of the Ga-Substituted Cyanobacterial Ferredoxin
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September 2015 |
Ga 3+ as a Functional Substitute for Fe 3+ : Preparation and Characterization of the Ga 3+ Fe 2+ and Ga 3+ Zn 2+ Forms of Bovine Spleen Purple Acid Phosphatase
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May 1998 |
Organoalkoxochlorogallane
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July 2007 |
Oxoethoxide Chlorides – Representatives of Oligonuclear Alkoxide Complexes of Gallium: Penta‐ and Dodecanuclear Molecules
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November 2007 |
On the Electronic Structure of mer , trans ‐[RuCl 3 (1 H ‐indazole) 2 (NO)], a Hypothetical Metabolite of the Antitumor Drug Candidate KP1019: An Experimental and DFT Study
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April 2013 |
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
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August 1997 |
Principles of structure, bonding, and reactivity for metal nitrosyl complexes
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September 1974 |
Tailoring NO Donors Metallopharmaceuticals: Ruthenium Nitrosyl Ammines and Aliphatic Tetraazamacrocycles
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November 2010 |
Mechanism and biological implications of the NO release of cis-[Ru(bpy)2L(NO)]n+ complexes: A key role of physiological thiols
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May 2011 |
Density Functional Theory (DFT)-Based Bonding Analysis Correlates Ligand Field Strength with 99 Ru Mössbauer Parameters of Ruthenium–Nitrosyl Complexes
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October 2019 |
Structural and Photodynamic Studies on Nitrosylruthenium-Complexed Serum Albumin as a Delivery System for Controlled Nitric Oxide Release
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June 2021 |
Electronic structure alternatives in nitrosylruthenium complexes
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January 2010 |
Establishing the NO oxidation state in complexes [Cl 5 (NO)M] n− , M = Ru or Ir, through experiments and DFT calculations
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January 2004 |
Mössbauer Spectroscopy and Transition Metal Chemistry: Fundamentals and Applications
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January 2011 |
Tuning the Electronic Structure of Halidobis(o-imino-benzosemiquinonato)iron(III) Complexes
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July 2001 |
Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates
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April 2020 |
Pentacoordinated cloro-bis-o-iminosemiquinonato Mn and Fe complexes
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August 2018 |
Synthesis and Electronic Structure Diversity of Pyridine(diimine)iron Tetrazene Complexes
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April 2018 |
Room‐Temperature Photogeneration of Nitrosyl Linkage Isomers in Ruthenium Nitrosyl Complexes
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May 2019 |
Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes
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November 2019 |
The impact of counterion on the metastable state properties of nitrosyl ruthenium complexes
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January 2020 |
Nitric-oxide photorelease and photoinduced linkage isomerism on solid [Ru(NO)(terpy)(L)]BPh4 (L = glycolate dianion)
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January 2009 |
Photoinduced linkage isomers in a model ruthenium nitrosyl complex: Identification and assignment of vibrational modes
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December 2021 |
Near-IR light-induced photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes: formation, reactivity, and biological effects
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January 2020 |
Coordination bonding in dicopper and dichromium tetrakis(μ‐acetato)‐diaqua complexes: Nature, strength, length, and topology
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December 2019 |
Two-Step Photon Absorption Driving the Chemical Reaction in the Model Ruthenium Nitrosyl System [Ru(py) 4 Cl(NO)](PF 6 ) 2 · 1 / 2 H 2 O
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April 2016 |
Donation and scavenging of nitric oxide (NO) by flipping of the denticity of carboxylate ligand in novel ruthenium complexes: Photolability of the coordinated NO
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August 2013 |
Novel drug delivery system for photoinduced nitric oxide (NO) delivery
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March 2015 |
Theoretical Spectroscopy and Photodynamics of a Ruthenium Nitrosyl Complex
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April 2014 |
Anion−Anion Assembly in Crystal of Sodium Nitroprusside
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August 2008 |
Charge density studies on [(NO)Fe(S2C6H4)2][PPN] and [(NO)3Fe(S2C6H4)3] complexes
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February 2012 |
Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study
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November 2018 |
SHELXT – Integrated space-group and crystal-structure determination
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January 2015 |
Diamagnetic Corrections and Pascal's Constants
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April 2008 |
Biologically Relevant Heterodinuclear Iron–Manganese Complexes
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September 2012 |
Correction to Biologically Relevant Heterodinuclear Iron–Manganese Complexes
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October 2012 |
Density-functional exchange-energy approximation with correct asymptotic behavior
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September 1988 |
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
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August 1980 |
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
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October 2019 |
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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January 2005 |
The role of databases in support of computational chemistry calculations
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October 1996 |
Basis Set Exchange: A Community Database for Computational Sciences
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March 2007 |
Energy-adjustedab initio pseudopotentials for the second and third row transition elements
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January 1990 |
Theoretical Evidence for the Singlet Diradical Character of Square Planar Nickel Complexes Containing Two o -Semiquinonato Type Ligands
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August 2002 |
Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(L ISQ ) 2 ] (L ISQ =3,5-di- tert -butyl- o -diiminobenzosemiquinonate(1-))
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September 2003 |
Square Planar vs Tetrahedral Coordination in Diamagnetic Complexes of Nickel(II) Containing Two Bidentate π-Radical Monoanions
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May 2005 |
Molecular and Electronic Structures of Tetrahedral Complexes of Nickel and Cobalt Containing N,N ‘-Disubstituted, Bulky o -Diiminobenzosemiquinonate(1−) π-Radical Ligands
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August 2006 |
Electronic Structures of Five-Coordinate Complexes of Iron Containing Zero, One, or Two π-Radical Ligands: A Broken-Symmetry Density Functional Theoretical Study
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October 2007 |
Importance of Direct Spin−Spin Coupling and Spin-Flip Excitations for the Zero-Field Splittings of Transition Metal Complexes: A Case Study
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August 2006 |
Ab Initio and Coupled-Perturbed Density Functional Theory Estimation of Zero-Field Splittings in Mn II Transition Metal Complexes
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August 2008 |
Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches
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October 2010 |
Comparison of two efficient approximate Hartee–Fock approaches
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October 2009 |
The ORCA program system: The ORCA program system
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June 2011 |
Software update: the ORCA program system, version 4.0: Software update
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July 2017 |
Introduction of n -electron valence states for multireference perturbation theory
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June 2001 |
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant
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December 2001 |
A novel perturbation-based complete active space–self-consistent-field algorithm: Application to the direct calculation of localized orbitals
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December 2002 |
Calibration of the n-electron valence state perturbation theory approach
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March 2004 |
Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree–Fock and Kohn–Sham theory
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December 2001 |
One-electron contributions to the g-tensor for second-order Douglas–Kroll–Hess theory
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September 2012 |
Performance of Nonrelativistic and Quasi-Relativistic Hybrid DFT for the Prediction of Electric and Magnetic Hyperfine Parameters in 57 Fe Mössbauer Spectra
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April 2005 |
Calibration of Modern Density Functional Theory Methods for the Prediction of 57 Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals
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February 2009 |
Crystallographic Computing System JANA2006: General features
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January 2014 |
Nucleophilic addition reaction in coordinated non-linear pseudohalides: experimental charge density analysis in trans -bis(cyanamidonitrato- N : O )bis-(imidazole- N 3 )copper(II) complex
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May 2002 |
Electronic structure of Schiff-base peroxo{2,2′-[1,2-phenylenebis(nitrilomethanylylidene)]bis(6-methoxyphenolato)}titanium(IV) monohydrate: a possible model structure of the reaction center for the theoretical study of hemoglobin
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February 2021 |
Nonlinear Least-Squares Fitting of Numerical Relativistic Atomic Wave Functions by a Linear Combination of Slater-Type Functions for Atoms with Z = 1–36
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September 1998 |