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- 2024
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Mark
Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MM
(
- Contribution to journal › Article
- 2023
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Mark
Non-heme FeIV=O complexes supported by four new pentadentate ligands : reactivity towards H- and O-atom transfer processes
(
- Contribution to journal › Article
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Mark
Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM Calculations
(
- Contribution to journal › Article
- 2022
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Mark
QM/MM Study of Partial Dissociation of S2B for the E2 Intermediate of Nitrogenase
(
- Contribution to journal › Article
- 2021
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Mark
Hg(II) Binding to Thymine Bases in DNA
(
- Contribution to journal › Article
- 2020
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Mark
Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I
(
- Contribution to journal › Article
- 2019
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Mark
Excited State Dynamics of Bistridentate and Trisbidentate RuII Complexes of Quinoline-Pyrazole Ligands
(
- Contribution to journal › Article
- 2016
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Mark
Theoretical Study of Phosphodiester Hydrolysis and Transesterification Catalyzed by an Unsymmetric Biomimetic Dizinc Complex.
2016) In Inorganic Chemistry(
- Contribution to journal › Article
- 2015
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Mark
Homoleptic Iron(II) Complexes with the Ionogenic Ligand 6,6'-Bis(1H-tetrazol-5-yl)-2,2'-bipyridine: Spin Crossover Behavior in a Singular 2D Spin Crossover Coordination Polymer.
(
- Contribution to journal › Article
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Mark
Synthesis, Crystal Structure, and Bonding Analysis of the Hypoelectronic Cubic Phase Ca5Pd6Ge6.
(
- Contribution to journal › Article
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Mark
AuCd4: A Hume-Rothery Phase with VEC of 1.8 and Icosahedral and Trigonal-Prismatic Clusters as Building Blocks.
(
- Contribution to journal › Article
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Mark
Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions
(
- Contribution to journal › Article
- 2014
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Mark
Comparison of the active-site design of molybdenum oxo-transfer enzymes by quantum mechanical calculations.
(
- Contribution to journal › Article
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Mark
Valence State Driven Site Preference in the Quaternary Compound Ca5MgAgGe5: An Electron-Deficient Phase with Optimized Bonding.
(
- Contribution to journal › Article
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Mark
Superheavy Element Flerovium (Element 114) Is a Volatile Metal
(
- Contribution to journal › Article
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Mark
A Homoleptic Trisbidentate Ru(II) Complex of a Novel Bidentate Biheteroaromatic Ligand Based on Quinoline and Pyrazole Groups: Structural, Electrochemical, Photophysical, and Computational Characterization.
(
- Contribution to journal › Article
- 2013
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Mark
Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases.
(
- Contribution to journal › Article
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Mark
Tuning the Electronics of Bis(tridentate)ruthenium(II) Complexes with Long-Lived Excited States: Modifications to the Ligand Skeleton beyond Classical Electron Donor or Electron Withdrawing Group Decorations
(
- Contribution to journal › Article
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Mark
Incommensurately Modulated δ″-Au1+xCd2-x Formed by an Unquenchable Phase Transformation from the γ-Brass δ'-Phase.
(
- Contribution to journal › Article
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Mark
Au10Mo4Zn89: A Fully Ordered Complex Intermetallic Compound Analyzed by TOPOS.
(
- Contribution to journal › Article
- 2012
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Mark
Structural Impact of Platinum on the Incommensurably Modulated γ-Brass Related Composite Structure Pd(15)Zn(54).
(
- Contribution to journal › Article
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Mark
Synthesis, Structural Characterization, and Ab Initio Study of Cu(5+δ)In(2+x)Sb(2-x): A New B8-Related Structure Type.
(
- Contribution to journal › Article
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Mark
Ca(10)Pt(7)Tt(3) (Tt = Si, Ge): New Platinide Phases Featuring Electron-Rich 4c-6e Bonded [Pt(7)Tt(3)](20-) Intermetalloid Clusters.
(
- Contribution to journal › Article
- 2011
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Mark
Synthesis, characterization, and reactivity studies of heterodinuclear complexes modeling active sites in purple Acid phospatases.
(
- Contribution to journal › Article
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Mark
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures
(
- Contribution to journal › Article
- 2010
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Mark
A five-coordinate [2Fe-2S] cluster.
(
- Contribution to journal › Article
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Mark
Thermal Polymorphism and Decomposition of Y(BH4)(3)
(
- Contribution to journal › Article
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Mark
On the Analysis of the Cr-Cr Multiple Bond in Several Classes of Dichromium Compounds
(
- Contribution to journal › Article
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Mark
Ligand Identification in Titanium Complexes Using X-ray Valence-to-Core Emission Spectroscopy
(
- Contribution to journal › Article
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Mark
Highly Non-Planar Dendritic Porphyrin for pH Sensing: Observation of Porphyrin Monocation
(
- Contribution to journal › Article
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Mark
Synthesis and Reactivity of Catecholate Complexes Containing Quadruply Bonded Metal Ions
(
- Contribution to journal › Article
- 2009
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Mark
As UF3 Molecule with a Weak Triple Bond to Uranium
(
- Contribution to journal › Article
- 2008
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Mark
Steric influence on the excited-state lifetimes of ruthenium complexes with bipyridyl-alkanylene-pyridyl Ligands
(
- Contribution to journal › Article
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Mark
Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds
(
- Contribution to journal › Article
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Mark
Secondary bonding interactions in biomimetic [2Fe-2S] clusters
(
- Contribution to journal › Article
- 2007
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Mark
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases
(
- Contribution to journal › Article
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Mark
Cyclometallated iridium and platinum complexes with noninnocent ligands
(
- Contribution to journal › Article
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Mark
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2
(
- Contribution to journal › Article
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Mark
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide
(
- Contribution to journal › Article
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Mark
Synthesis and electron transfer studies of ruthenium-terpyridine-based dyads attached to nanostructured TiO2
(
- Contribution to journal › Article
- 2006
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Mark
Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
(
- Contribution to journal › Article
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Mark
Quantum chemistry predicts multiply bonded diuranium compounds to be stable
(
- Contribution to journal › Article
- 2005
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Mark
Effect of crystal packing on the structures of polymeric metallocenes
(
- Contribution to journal › Article
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Mark
Dithiolate complexes of manganese and rhenium: X-ray structure and properties of an unusual mixed valence cluster Mn-3(CO)(6)(mu-eta(2)-SCH2CH2CH2S)(3)
(
- Contribution to journal › Article
-
Mark
A combined quantum and molecular mechanical study of the O-2 reductive cleavage in the catalytic cycle of multicopper oxidases
(
- Contribution to journal › Article
- 2004
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Mark
Nickel Complexes of Carboxylate-Containing Polydentate Ligands as Models for the Active Site of Urease
(
- Contribution to journal › Article
-
Mark
Structural and Functional Models of the Active Site of Zinc Phosphotriesterase
(
- Contribution to journal › Article
-
Mark
Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square
(
- Contribution to journal › Article
- 2003
-
Mark
The Electronic Spectrum of Re2Cl82-: A Theoretical Study
(
- Contribution to journal › Article
-
Mark
Aggregate manganese Schiff base moieties by terephthalate or acetate: Dinuclear manganese and trinuclear mixed metal Mn-2/Na complexes
(
- Contribution to journal › Article
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Mark
Synthesis and Photophysics of One Mononuclear Mn(III) and One Dinuclear Mn(III,III) Complex Covalently Linked to a Ruthenium(II) Tris(bipyridyl) Complex
(
- Contribution to journal › Article
- 2002
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Mark
Structural and mechanistic look at the orthoplatination of aryl oximes by dichlorobis(sulfoxide or sulfide)platinum(II) complexes
(
- Contribution to journal › Article
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Mark
A density functional study of oxygen atom transfer reactions between biological oxygen atom donors and molybdenum(IV) bis(dithiolene) complexes
(
- Contribution to journal › Article
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Mark
Ruthenium-Manganese Complexes for Artificial Photosynthesis: Factors Controlling Intramolecular Electron Transfer and Excited-State Quenching Reactions
(
- Contribution to journal › Article
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Mark
Light-Driven Tyrosine Radical Formation in a Ruthenium-Tyrosine Complex Attached to Nanoparticle TiO2
(
- Contribution to journal › Article
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Mark
Coordination of the neptunyl ion with carbonate ions and water: a theoretical study.
(
- Contribution to journal › Article
-
Mark
Hydrolytically active tetranuclear nickel complexes with structural resemblance to the active site of urease
(
- Contribution to journal › Article
- 2001
-
Mark
Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods
(
- Contribution to journal › Article
-
Mark
IR and EXAFS spectroscopic studies of glyphosate protonation and copper(II) complexes of glyphosate in aqueous solution
(
- Contribution to journal › Article
-
Mark
New class of oligonuclear platinum-thallium compounds with a direct metal-metal bond. 5. Structure determination of heterodimetallic cyano complexes in aqueous solution by EXAFS and vibrational spectroscopy
(
- Contribution to journal › Article
-
Mark
Synthesis of 14-oxa-1,4,8,11-tetraazabicyclo[9,5,3]nonadecane (L1) and a Spectroscopic and Structural Study of [Ni(L1)(ClO4)](ClO4) and of the Macrobicyclic Precursor Diamide Complex, [Ni(HL2)](ClO4); Chloride Substitution Kinetics of the Corresponding [Ni(III)(L1)]3+ Species
(
- Contribution to journal › Article
- 2000
-
Mark
Kinetic and Computational Study of Dissociative Substitution and Phosphine Exchange at Tetrahedrally Distorted cis-[Pt(SiMePh2)2(PMe2Ph)2]
(
- Contribution to journal › Article
-
Mark
Kinetics and Mechanism for Reversible Chloride Transfer between Mercury(II) and Square-Planar Platinum(II) Chloro Ammine, Aqua, and Sulfoxide Complexes. Stabilities, Spectra, and Reactivities of Transient Metal-Metal Bonded Platinum-Mercury Adducts
(
- Contribution to journal › Article
-
Mark
Kinetics and Mechanism for Reduction of the Anticancer Prodrug trans,trans,trans-[PtCl2(OH)2(c-C6H11NH2)(NH3)] (JM 335) by Thiols
(
- Contribution to journal › Article
- 1999
-
Mark
The Unperturbed Oxo-Sulfido Functional Group cis-Mo(VI)OS, Related to that in the Xanthine Oxidase Family of Molybdoenzymes: Synthesis, Structural Characterization and Reactivity Aspects
(
- Contribution to journal › Article
-
Mark
Computer Modelling of the Oxygen-atom Transfer Reaction between hydrogen sulfite and a Molybdenum(VI) dioxo complex
(
- Contribution to journal › Article
-
Mark
Reaction Mechanism for Olefin Exchange at Chloro Ethene Complexes of Platinum(II)
(
- Contribution to journal › Article
- 1998
-
Mark
Kinetics and Mechanism for Formation of Olefin Complexes in the Reaction between Palladium(II) and Maleic Acid
(
- Contribution to journal › Article
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Mark
Iron-Manganese Redox Processes and Synergism in the Mechanism for Manganese-Catalyzed Autoxidation of Hydrogen Sulfiite
(
- Contribution to journal › Article
-
Mark
A reversible iso-symmetric high pressure phase transition in Na3MnF6
(
- Contribution to journal › Article
- 1997
-
Mark
Structure and electrochemical studies of [(trispicMeen)ClFeIII OFeIII Cl(trispicMeen)](2+). Spectroscopic characterization of the mixed-valence Fe-III OFeII form. Relevance to the active site of dinuclear iron-oxo proteins
(
- Contribution to journal › Article
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Mark
Equilibria, Kinetics and Mechanism for Rapid Substitution Reactions trans to Triphenyl Silyl in Platinum(II) Complexes
(
- Contribution to journal › Article
-
Mark
Protonolysis of Dialkyl and Alkylaryl Platinum(II) Complexes and Geometrical Isomerization of the Derived Monoorgano-Solvento Complexes: Clear-Cut Examples of Associative and Dissociative Pathways in Platinum Chemistry
(
- Contribution to journal › Article
-
Mark
Synthesis, Structure, and Reactivity of Arylchlorobis(dialkyl sulfide)platinum(II) Complexes
(
- Contribution to journal › Article
-
Mark
Linear Free Energy Relationships for Complex Formation Reactions between Carboxylic Acids and Palladium(II). Equilibrium and High-Pressure Kinetics Study
(
- Contribution to journal › Article
- 1996
-
Mark
Structure-Reactivity Correlations for Complex Formation Reactions between Square-Planar Metal Centers and Thioethers
(
- Contribution to journal › Article
-
Mark
Theoretical Modeling of Water Exchange on [Pd(H2O)4]2+, [Pt(H2O)4]2+, and trans-[PtCl2(H2O)2]
(
- Contribution to journal › Article
-
Mark
Kinetics and Mechanism for Reduction of trans-Dichlorotetracyanoplatinate(IV) by Thioglycolic Acid, L-Cysteine, D,L-Penicillamine, and Glutathione in Aqueous Solution
(
- Contribution to journal › Article
-
Mark
Competitive Substitution and Electron Transfer in Reactions between Haloamminegold(III) and Halocyanoaurate(III) Complexes and Thiocyanate
(
- Contribution to journal › Article
-
Mark
Equilibrium and High-Pressure Kinetic Study of Formation and Proton-Assisted Aquation of Monodentate Acetate, Propionate, and Glycolate Complexes of Palladium(II) in Aqueous Solution
(
- Contribution to journal › Article
- 1995
-
Mark
Kinetics and Mechanism for Reduction of Tetrachloroaurate(III), trans-dicyanodichloroaurate(III), and trans-dicyanodibromoaurate(III) by Sulfite and Hydrogen Sulfite
(
- Contribution to journal › Article
- 1994
-
Mark
Kinetics and Mechanism for Oxidation of Dissolved Sulfur Dioxide by Tetracyanodichloroplatinate(IV) in Acidic Aqueous Solution and for Formation and O-S Linkage Isomerization of Sulfitotetracyanochloroplatinate(IV)
(
- Contribution to journal › Article
- 1993
-
Mark
Kinetics and Mechanism for Manganese-Catalyzed Oxidation of Sulfur(IV) in Aqueous Solution
(
- Contribution to journal › Article
- 1992
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Mark
High-Pressure Stopped-Flow Study of Kinetics and Mechanism for Complex Formation Reactions of Tetraaquapalladium(II) and -Platinum(II) with Thioethers in Aqueous Solution
(
- Contribution to journal › Article
- 1991
-
Mark
Proton NMR Kinetic Study of Ligand Exchange on Bis(1,4-dithiane)platinum(II), Bis(1,4-dithiane)palladium(II) and Tetrakis(dimethylsulfide)platinum(II) : High Presssure NMR Kinetics 51
(
- Contribution to journal › Article
- 1989
-
Mark
Water exchange of trans-dichlorodiaquaplatinum(II) and tetraaquaplatinum(II) studied by an oxidative-addition quenching technique. Isotopic shifts and platinum-195 NMR chemical shifts for mixed chloro-aqua complexes of platinum(II) and platinum(IV)
(
- Contribution to journal › Article
-
Mark
Kinetics and Mechanism for Reaction between Ammine- and Haloamminegold(III) Complexes and Thiocyanate. Competitive Electron Transfer and Substitution
(
- Contribution to journal › Article
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Mark
1H NMR Kinetic Study of Dimethyl Sulfoxide Exchange on Tetrakis(dimethyl- sulfoxide)platinum(II) at Variable Temperature and Pressure : High-pressure NMR kinetics. 36.
(
- Contribution to journal › Article
- 1988
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Mark
Mechanism for Formation and Aquation of Palladium(II) Acetonitrile Complexes in Aqueous Solution. A Variable Temperature and Variable Pressure Study of Stabilities and Kinetics
(
- Contribution to journal › Article
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Mark
Mechanism for Oxidative Addition of Molecular Chlorine to Tetracyanoplatinate(II). Formation of trans-Dichlorotetracyanoplatinate(IV) via a Platinum(III) Intermediate
(
- Contribution to journal › Article
- 1987
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Mark
Kinetics and Thermodynamics for Complex Formation between Palladium(II) and Dimethyl Sulfoxide as a Function of Temperature and Pressure
(
- Contribution to journal › Article
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Mark
Mechanism for Oxidation of Tetracyanoplatinate(II) by Gold(III) Complexes
(
- Contribution to journal › Article
- 1986
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Mark
Kinetics and Mechanism for Reduction of Ammine and Haloammiine Complexes of Gold(III) by Iodide
(
- Contribution to journal › Article
- 1985
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Mark
Kinetics and Mechanism for Oxidation of Tetracyanoplatinate(II) by Chlorine and Hypochlorous Acid and for Hydrolysis of Chlorine in Aqueous Solution
(
- Contribution to journal › Article
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Mark
Activation Parameters and Mechanism for Water Exchange of Tetraaquaplatinum(II) Studied by High-Pressure Oxygen-17 NMR Spectroscopy
(
- Contribution to journal › Article
- 1982
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Mark
Kinetics and Mechanism for Reduction of Tetrachloro- and Tetrabromoaurate(III) by Iodide
(
- Contribution to journal › Article
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Mark
Water Exchange and Solvolysis in Dimethyl Sulfoxide of Square-Planar Tetraaquaplatinum(II). A Platinum-195 NMR Study
(
- Contribution to journal › Article
- 1978
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Mark
Kinetics and Mechanism for Ligand Substitution Reactions of Square-Planar (Dimethyl sulfoxide)platinum(II) Complexes. Stability and Reactivity Correlations
(
- Contribution to journal › Article
- 1977
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Mark
Kinetics, Mechanism and Equilibrium for Formation/Cleavage of a Dinuclear Iodide-Bridged Complex of Palladium(II)
(
- Contribution to journal › Article