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List of works by Albert Poater

A combined mechanistic and computational study of the gold(I)-catalyzed formation of substituted indenes ⬇️

scientific article published on October 20, 2010

A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts

scientific article published on 29 September 2015

A computational perspective of olefins metathesis catalyzed by N-heterocyclic carbene ruthenium (pre)catalysts

scientific article published in 2011

A latent ruthenium based olefin metathesis catalyst with a sterically demanding NHC ligand

scientific article published in 2012

A trinuclear Pt(II) compound with short Pt-Pt-Pt contacts. An analysis of the influence of pi-pi stacking interactions on the strength and length of the Pt-Pt bond

scientific article published on 15 November 2005

A versatile gold synthon for acetylene C-H bond activation.

scientific article published on 4 October 2010

Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts

scientific article published on 13 November 2012

Alkylation of Ketones Catalyzed by Bifunctional Iron Complexes: From Mechanistic Understanding to Application

scientific article published on 14 November 2017

An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN)

scientific article published on 14 June 2016

An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene

scientific article published in 2021

Aromatic Rings and Aromatic Rods: Nonplanar Character of an Indeno-dehydro[14]annulene

Ascorbic Acid as a Bifunctional Hydrogen Bond Donor for the Synthesis of Cyclic Carbonates from CO2 under Ambient Conditions

scientific article published on 18 July 2017

Atropisomeric discrimination in new Ru(II) complexes containing the C(2)-symmetric didentate chiral phenyl-1,2-bisoxazolinic ligand

scientific article

Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept

Axial Ligand Effects of Ru-BDA Complexes in the O-O Bond Formation via the I2M Bimolecular Mechanism in Water Oxidation Catalysis

Bifunctional (cyclopentadienone)iron-tricarbonyl complexes: synthesis, computational studies and application in reductive amination

scientific article published on 15 November 2013

Blue-emitting dinuclear N-heterocyclic dicarbene gold(I) complex featuring a nearly unit quantum yield

scientific article published on 23 January 2012

C2-symmetric chiral disulfoxide ligands in rhodium-catalyzed 1,4-addition: from ligand synthesis to the enantioselection pathway

scientific article published on December 2010

Carbo -biphenyls and Carbo -terphenyls: Oligo(phenylene ethynylene) Ring Carbo -mers

article published in 2018

Carbo-biphenyls and Carbo-terphenyls: Oligo(phenylene ethynylene) Ring Carbo-mers.

scientific article

Catalytic Role of Nickel in the Decarbonylative Addition of Phthalimides to Alkynes

scientific article published on 30 October 2013

Clean and selective catalytic C-H alkylation of alkenes with environmental friendly alcohols

scientific article published in July 2017

Comparing Ru and Fe-catalyzed olefin metathesis

scientific article published in 2014

Comparing families of olefin polymerization precatalysts using the percentage of buried volume

scientific article published on 13 August 2009

Comparing the enantioselective power of steric and electrostatic effects in transition-metal-catalyzed asymmetric synthesis

scientific article published on December 2010

Comparison of different ruthenium–alkylidene bonds in the activation step with N-heterocyclic carbene Ru-catalysts for olefins metathesis

scientific article published in 2011

Complete mechanism of sigma* intramolecular aromatic hydroxylation through O2 activation by a macrocyclic dicopper(I) complex

scientific article published in December 2008

Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper(I) complex

scientific article

Complexation of trichlorosalicylic acid with alkaline and first row transition metals as a switch for their antibacterial activity

scientific article published in January 2018

Computational methods to predict the reactivity of nanoparticles through structure-property relationships

scientific article published on March 2010

Computational modeling of heterogeneous Ziegler-Natta catalysts for olefins polymerization

scientific article published in September 2018

Cooperative Effect of Monopodal Silica-Supported Niobium Complex Pairs Enhancing Catalytic Cyclic Carbonate Production

scientific article

Coordinatively Unsaturated Ruthenium Complexes As Efficient Alkyne–Azide Cycloaddition Catalysts

Copper(II) Hexaaza Macrocyclic Binuclear Complexes Obtained from the Reaction of Their Copper(I) Derivates and Molecular Dioxygen

scientific article published on 01 May 2006

Correction: Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions

scientific article published in December 2015

Covalent and Ionic Capacity of MOFs To Sorb Small Gas Molecules

scientific article published on 25 May 2018

Cover Picture: Structural Preferences in Phosphanylthiolato Platinum(II) Complexes (ChemistryOpen 1/2016).

scientific article published on 3 February 2016

DFT calculations of d0M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties

scientific article published on 30 May 2006

Dancing multiplicity states supported by a carboxylated group in dicopper structures bonded to O2

scientific article published on 29 January 2013

Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesis

scientific article published on 22 February 2012

Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesis

scientific article published in 2011

Decomposition of the electronic activity in competing [5,6] and [6,6] cycloaddition reactions between C60 and cyclopentadiene

scientific article published on 01 February 2019

Deconstructing Selectivity in the Gold-Promoted Cyclization of Alkynyl Benzothioamides to Six-Membered Mesoionic Carbene or Acyclic Carbene Complexes

scientific article published on 27 March 2014

Diastereoselective diazenyl formation: the key for manganese-catalysed alcohol conversion into (E)-alkenes

scientific article published on 09 September 2019

Dinuclear Ru-aqua complexes for selective epoxidation catalysis based on supramolecular substrate orientation effects

scientific article published on 3 March 2014

Do Carbon Nano-onions Behave as Nanoscopic Faraday Cages? A Comparison of the Reactivity of C60 , C240 , C60 @C240 , Li+ @C60 , Li+ @C240 , and Li+ @C60 @C240

scientific article published on 27 December 2019

Docking of tetra-methyl zirconium to the surface of silica: a well-defined pre-catalyst for conversion of CO2 to cyclic carbonates

scientific article published on 01 March 2020

Dynamics of the NbCl5-Catalyzed Cycloaddition of Propylene Oxide and CO2: Assessing the Dual Role of the Nucleophilic Co-Catalysts

scientific article published on 23 July 2014

Effect of Exocyclic Substituents and π-System Length on the Electronic Structure of Chichibabin Diradical(oid)s

scientific article published on 21 June 2019

Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts

scientific article published on 05 July 2019

Enantioselective polymerization of epoxides using biaryl-linked bimetallic cobalt catalysts: a mechanistic study.

scientific article

Energetics of the ruthenium-halide bond in olefin metathesis (pre)catalysts

scientific article published in May 2013

Environmental friendly Fe substitutive of Ru in water oxidation catalysis

scientific article published in January 2014

Erratum to “Understanding the M-(NHC) (NHC = N-heterocyclic carbene) bond” [Coordin. Chem. Rev. 253 (2009) 687–703]

scientific article published in November 2009

Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene

Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization

scientific article published on 24 May 2018

Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization

scientific article published on 26 April 2018

Exploring new generations of ruthenium olefin metathesis catalysts: the reactivity of a bis-ylidene ruthenium complex by DFT.

scientific article published in May 2013

Exploring the mechanism of Grignard metathesis polymerization of 3-alkylthiophenes

scientific article

Exploring the reactivity of Ru-based metathesis catalysts with a pi-acid ligand trans to the Ru-ylidene bond.

scientific article

Facile C-H bond cleavage via a proton-coupled electron transfer involving a C-H...Cu(II) interaction

scientific article

Fast O2 binding at dicopper complexes containing Schiff-base dinucleating ligands

scientific article

Fine-Tuning the Electronic Properties of Highly Stable Organometallic CuIII Complexes Containing Monoanionic Macrocyclic Ligands

scientific article published on 01 August 2005

Flexibility of N-heterocyclic carbene ligands in ruthenium complexes relevant to olefin metathesis and their impact in the first coordination sphere of the metal

scientific article published in March 2010

Fluxional Behavior of Molecular WMe6 and of Silica Grafted WMe6

scientific article published on 21 January 2015

From Olefin Metathesis Catalyst to Alcohol Racemization Catalyst in One Step

scientific article published on 12 December 2011

From ruthenium olefin metathesis catalyst to (η5-3-phenylindenyl)hydrido complex via alcoholysis

scientific article published on 16 January 2014

Gold(i)-catalyzed synthesis of furans and pyrroles via alkyne hydration

Hexafluorobenzene: a powerful solvent for a noncovalent stereoselective organocatalytic Michael addition reaction

scientific article published in 2012

Highly Active Phosphine-Free Bifunctional Iron Complex for Hydrogenation of Bicarbonate and Reductive Amination

scientific article published on 24 March 2015

Highly Efficient and Eco-Friendly Gold-Catalyzed Synthesis of Homoallylic Ketones

How carbo-benzenes fit molecules in their inner core as do biologic ion carriers?

How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis?

scientific article published on 01 May 2013

How easy is CO2 fixation by M–C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)?

article by Sai V. C. Vummaleti et al published 2016 in Organic chemistry frontiers : an international journal of organic chemistry

How phenyl makes a difference: mechanistic insights into the ruthenium(ii)-catalysed isomerisation of allylic alcohols

Identification and characterization of a new family of catalytically highly active imidazolin-2-ylidenes

scientific article

Impact of Electronic Modification of the Chelating Benzylidene Ligand in cis-Dichloro-Configured Second-Generation Olefin Metathesis Catalysts on Their Activity

scientific article published on 27 May 2014

In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60 Fullerenes

scientific article published on 5 April 2016

In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co

scientific article published on 14 December 2017

Insights into mechanism and selectivity in ruthenium(ii)-catalysed ortho-arylation reactions directed by Lewis basic groups

scientific article published in 2018

Insights into the decomposition of olefin metathesis precatalysts

scientific article published on 2 June 2014

Investigating the Structure and Reactivity of Azolyl-Based Copper(I)–NHC Complexes: The Role of the Anionic Ligand

scientific article published in November 2017

Iron-Catalyzed Chemoselective Reduction of α,β-Unsaturated Ketones

scientific article published on 28 February 2018

Ligand-Controlled Chemoselective C(acyl)-O Bond vs C(aryl)-C Bond Activation of Aromatic Esters in Nickel Catalyzed C(sp2)-C(sp3) Cross-Couplings

scientific article published on 20 February 2018

Mechanism of CO2Fixation by IrI-X Bonds (X = OH, OR, N, C)

Mechanism of Coupling of Alcohols and Amines To Generate Aldimines and H2 by a Pincer Manganese Catalyst

Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations

scientific article published on 13 November 2015

Mechanism of Racemization of Chiral Alcohols Mediated by 16-Electron Ruthenium Complexes

scientific article published on 01 September 2010

Mechanism of the Facile Nitrous Oxide Fixation by Homogeneous Ruthenium Hydride Pincer Catalysts

scientific article published on 23 June 2020

Mechanism of the Manganese-Pincer-Catalyzed Acceptorless Dehydrogenative Coupling of Nitriles and Alcohols

scientific article published on 29 January 2019

Mechanism of the Ru–Allenylidene to Ru–Indenylidene Rearrangement in Ruthenium Precatalysts for Olefin Metathesis

Mechanism of the Suzuki–Miyaura Cross-Coupling Reaction Mediated by [Pd(NHC)(allyl)Cl] Precatalysts

Mechanism of the Transmetalation of Organosilanes to Gold

scientific article published on 10 September 2015

Mechanistic Study of Suzuki-Miyaura Cross-Coupling Reactions of Amides Mediated by [Pd(NHC)(allyl)Cl] Precatalysts

Mechanistic insights into the chemistry of RuII complexes containing Cl and DMSO ligands

scientific article published on 15 November 2007

Mechanistic insights into the cis-trans isomerization of ruthenium complexes relevant to catalysis of olefin metathesis

scientific article published on December 2010

Mechanistic insights into the double C–H (de)activation route of a Ru-based olefin metathesis catalyst☆

scientific article published in June 2010

Mechanistic theoretical insight of Ru(II) catalysts with a meridional–facial bpea fashion competition

article

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine

scientific article published on January 2009

Molecular Structure and Bonding of Copper Cluster Monocarbonyls CunCO (n= 1−9)

scientific article published on 01 April 2006

Molecular mechanism of acid-triggered aryl–halide reductive elimination in well-defined aryl–CuIII–halide species

article

Monitoring of the Phosphine Role in the Mechanism of Palladium-Catalyzed Benzosilole Formation from Aryloxyethynyl Silanes

scientific article published on 18 April 2018

Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis.

scientific article published on 30 January 2016

N-Tetradentate SPANamine Derivatives and Their MnII-Complexes as Catalysts for Epoxidation of Alkenes

NHC-Copper(I) Halide-Catalyzed Direct Alkynylation of Trifluoromethyl Ketones on Water.

scientific article published on 3 May 2016

New Ru Complexes Containing the N-Tridentate bpea and Phosphine Ligands: Consequences of Meridional vs Facial Geometry

scientific article published on 01 December 2006

New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance

scientific article published on 08 June 2011

New ruthenium(II) complexes with enantiomerically pure bis- and tris(pinene)-fused tridentate ligands. Synthesis, characterization and stereoisomeric analysis

scientific article published on 9 August 2008

Nitrite to nitric oxide interconversion by heme FeII complex assisted by [CuI(tmpa)]+

O2 chemistry of dicopper complexes with alkyltriamine ligands. Comparing synergistic effects on O2 binding

scientific article published on July 2006

Olefin Metathesis with Ru-Based Catalysts Exchanging the Typical N-Heterocyclic Carbenes by a Phosphine–Phosphonium Ylide

On the Mechanism of the Digold(I)-Hydroxide-Catalysed Hydrophenoxylation of Alkynes

scientific article published on 11 December 2015

On the Reaction Mechanism of the Rhodium-Catalyzed Arylation of Fullerene (C60) with Organoboron Compounds in the Presence of Water

scientific article published on 06 July 2015

Organometallic copper I, II or III species in an intramolecular dechlorination reaction

scientific article published on 15 March 2013

Oxidation of Copper(I) Hexaaza Macrocyclic Dinuclear Complexes

scientific article published on 6 August 2009

Pd immobilized on dendrimer decorated halloysite clay: Computational and experimental study on the effect of dendrimer generation, Pd valance and incorporation of terminal functionality on the catalytic activity

scientific article published on 23 July 2018

Pesticides Curbing Soil Fertility: Effect of Complexation of Free Metal Ions.

scientific article

Powerful Bis-facially Pyrazolate-Bridged Dinuclear Ruthenium Epoxidation Catalyst

Probing the Mechanism of O2 Activation by a Copper(I) Biomimetic Complex of a C−H Hydroxylating Copper Monooxygenase

scientific article published on 4 May 2009

Quantifying electronic similarities between NHC-gold(i) complexes and their isolobal imidazolium precursors

scientific article published on 01 July 2019

Rationalizing current strategies to protect N-heterocyclic carbene-based ruthenium catalysts active in olefin metathesis from C–H (de)activation ⬇️

scientific article published on May 6, 2011

Regioselective intramolecular Pauson-Khand reactions of C60: an electrochemical study and theoretical underpinning

scientific article

Regioselectivity of the Pauson–Khand reaction in single-walled carbon nanotubes

scientific article published on 01 August 2018

Regiospecific CH Bond Activation: Reversible H/D Exchange Promoted by CuI Complexes with Triazamacrocyclic Ligands

scientific article published on 01 April 2006

Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions

scientific article published on 21 September 2015

Revisiting O-O Bond Formation through Outer-Sphere Water Molecules versus Bimolecular Mechanisms in Water-Oxidation Catalysis (WOC) by Cp*Ir Based Complexes

scientific article published on 28 August 2018

Room-Temperature Chemoselective Reductive Alkylation of Amines Catalyzed by a Well-Defined Iron(II) Complex Using Hydrogen

scientific article published on 24 May 2019

Ruthenium complexes with chiral bis-pinene ligands: an array of subtle structural diversity

scientific article published on 25 April 2013

Samb V ca: A Web Application for the Calculation of the Buried Volume of N-Heterocyclic Carbene Ligands

scientific article (publication date: May 2009)

SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps

scientific article published on 27 June 2016

Selective Metathesis of α-Olefins from Bio-Sourced Fischer–Tropsch Feeds

scientific article published on 26 October 2016

Selectivity Switch in the Synthesis of Vinylgold(I) Intermediates

Silica-Supported Tungsten Carbynes (≡SiO)xW(≡CH)(Me)y (x = 1, y = 2; x = 2, y = 1): New Efficient Catalysts for Alkyne Cyclotrimerization

scientific article published on 2 February 2015

Simple Ligand Modifications as a Key to Playing with the Stability of Cu(I), Cu(II), and Cu(III) Organometallic Complexes

scientific article published on 16 March 2009

Simple activation by acid of latent Ru-NHC-based metathesis initiators bearing 8-quinolinolate co-ligands

scientific article published on 28 January 2016

Simple and cheap steric and electronic characterization of the reactivity of Ru(II) complexes containing oxazoline ligands as epoxidation catalysts

Steric Maps to Evaluate the Role of Steric Hindrance on the IPr NHC Ligand

article by Albert Poater et al published 2013 in Procedia Computer Science

Steric/π-Electronic Insulation of the carbo-Benzene Ring: Dramatic Effects of tert-Butyl versus Phenyl Crowns on Geometric, Chromophoric, Redox, and Magnetic Properties

scientific article published on 25 June 2018

Structural Preferences in Phosphanylthiolato Platinum(II) Complexes

scientific article

Structural Preferences in Phosphanylthiolato Platinum(II) Complexes.

scientific article

Structural and energetic characterization of the emissive RNA alphabet based on the isothiazolo[4,3-d]pyrimidine heterocycle core

scientific article published on 21 June 2016

Structural stability, acidity, and halide selectivity of the fluoride riboswitch recognition site.

scientific article

Supramolecular Water Oxidation with Ru-bda-Based Catalysts

scientific article published on 05 November 2014

Synthesis and Characterization of Cationic Tetramethyl Tantalum(V) Complex

scientific article published in November 2018

Synthesis and Isomeric Analysis of Ru(II) Complexes Bearing Pentadentate Scaffolds

scientific article published on 7 October 2016

Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes

scientific article published on 16 October 2012

Synthesis and characterization of a homogeneous and silica supported homoleptic cationic tungsten(vi) methyl complex: application in olefin metathesis

scientific article published in September 2016

Synthesis, Characterization, and Linkage Isomerism in Mononuclear Ruthenium Complexes Containing the New Pyrazolate-Based Ligand Hpbl

scientific article published on 22 July 2014

Synthesis, Structure, and Redox Properties of a New Aqua Ruthenium Complex Containing the Tridentate [9]aneS3 and the Didentate 1,10-Phenanthroline Ligands

The "innocent" role of Sc(3+) on a non-heme Fe catalyst in an O2 environment.

scientific article

The Doping Effect of Fluorinated Aromatic Solvents on the Rate of Ruthenium-Catalysed Olefin Metathesis

scholarly article by Cezary Samojłowicz et al published 29 September 2011 in Chemistry—A European Journal

The Fundamental Noninnocent Role of Water for the Hydrogenation of Nitrous Oxide by PNP Pincer Ru-based Catalysts

scientific article published on 17 November 2017

The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid

scientific article published on 14 January 2013

The Right Computational Recipe for Olefin Metathesis with Ru-Based Catalysts: The Whole Mechanism of Ring-Closing Olefin Metathesis

scientific article published on 10 September 2014

The activation mechanism of Fe-based olefin metathesis catalysts

scientific article published in August 2014

The activation mechanism of Ru-indenylidene complexes in olefin metathesis

scientific article published on 25 April 2013

The activity of indenylidene derivatives in olefin metathesis catalysts

The driving force role of ruthenacyclobutanes

scientific article published on 7 February 2015

The preference for dual-gold(i) catalysis in the hydro(alkoxylation vs. phenoxylation) of alkynes.

scientific article

The role of the metal in the dual-metal catalysed hydrophenoxylation of diphenylacetylene

scientific article published in 2018

Theoretical Attempts: “In Silico Olefin Metathesis”-How Can Computers Help in the Understanding of Metathesis Mechanisms and in Catalysts Development?

scientific article published on 2 May 2014

Theoretical characterization of sulfur-to-selenium substitution in an emissive RNA alphabet: impact on H-bonding potential and photophysical properties.

scientific article published on 2 March 2018

Thermodynamics of N-Heterocyclic Carbene Dimerization: The Balance of Sterics and Electronics

Towards the online computer-aided design of catalytic pockets

scientific article published on 02 September 2019

Toxmatch—A chemical classification and activity prediction tool based on similarity measures

scientific article published on 09 July 2008

Tuning and Quantifying Steric and Electronic Effects ofN-Heterocyclic Carbenes

scientific article published on 12 July 2014

Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes

Tuning the electronic properties by width and length modifications of narrow- diameter carbon nanotubes for nanomedicine.

scientific article

Understanding d0-Olefin Metathesis Catalysts: Which Metal, Which Ligands?

scientific article published on 09 June 2007

Understanding the M(NHC) (NHC=N-heterocyclic carbene) bond

scientific article published in March 2009

Understanding the performance of a bisphosphonate Ru water oxidation catalyst

scientific article published on 01 October 2020

Unprecedented Selectivity of Ruthenium Iodide Benzylidenes in Olefin Metathesis Reactions

scientific article published on 22 January 2020

Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations

scientific article published in 2022

Versatile deprotonated NHC: C,N-bridged dinuclear iridium and rhodium complexes

scientific article published on 22 January 2016

Well-Defined Phosphine-Free Iron-Catalyzed N-Ethylation and N-Methylation of Amines with Ethanol and Methanol

scientific article published on 20 September 2018

What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

scientific article published on 16 February 2015

[{Au(IPr)}2(μ-OH)]X complexes: synthetic, structural and catalytic studies

scientific article

cis/trans Coordination in Olefin Metathesis by Static and Molecular Dynamic DFT Calculations

scientific article published on 25 May 2014

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