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Lista de obras de Maria José Calhorda

1,1′-Bis(diphenylphosphino)ferrocene bridging two mono(cyclopentadienyl) cobalt moieties: Synthesis, structure, electrochemistry and DFT studies

scholarly article by Vitor Rosa et al published August 2012 in Journal of Organometallic Chemistry

A DFT and MP2 study of luminescence of gold(I) complexes

A Mn(iii) single ion magnet with tridentate Schiff-base ligands.

artículo científico publicado en 2016

A New Look at the Ylidic Bond in Phosphorus Ylides and Related Compounds: Energy Decomposition Analysis Combined with a Domain-Averaged Fermi Hole Analysis

scientific article published on 24 March 2007

A new interpretation of the bonding properties and UV–vis spectra of [M3(CO)12] clusters (M=Ru, Os): a TD-DFT study

Activation of molecular hydrogen over a binuclear complex with Rh2S2 core: DFT calculations and NMR mechanistic studies

artículo científico publicado en 2004

Activity of Mo(II) allylic complexes supported in MCM-41 as oxidation catalysts precursors

Addition of aldehydes to tantalum-carbene complexes and the reduction of epoxides by unsaturated tantalum complexes. Theoretical study of the reaction mechanism and product structures

article

Adsorption and reactions of cyclic sulfides on molybdenum(110)

artículo científico publicado en 1990

Ag(I) and Cu(I) complexes of tetramethyldiphosphinedisulfide: synthesis and structure

An ‘atoms in molecules’ (AIM) analysis of the dihydrogen bond in organometallic compounds

Anodic Preparation of [Re2Cp2(CO)6]2+: A Dimeric Dication that Provides the Powerful One-Electron Oxidant [ReCp(CO)3]+

article

Bi- and Trimetallic σ-Acetylide Complexes Connected through a Phenyl Ring in the Fe(Cp*)(dppe) Series

Bis(iminophosphorano)methane Derivatives as Precursors of Unusual Ruthenium Carbene Complexes: A Synthetic and DFT Study

article published in 2004

Bis(indenyl) complexes of Fe, Co, and Ni: electronic structure and preferences

Bis(η-cyclopentadienyl)-molybdenum (and -tungsten or -titanium) complexes with chelate imidazole derivatives and related ligands

scholarly article by Maria José Calhorda & Alberto R. Dias published 1980 in Dalton transactions RSC

Bonding and redox properties of [Os(3)(CO)(9)(tmbp)(L)] (tmbp=4,4',5,5'-tetramethyl-2,2'-biphosphinine; L=CO, PPh(3)) clusters with an unprecedented electron-deficient metallic core and doubly bridging biphosphinine dianion

artículo científico publicado en 2002

Boron complexes of aromatic 5-substituted iminopyrrolyl ligands: synthesis, structure, and luminescence properties

scientific article published on 20 August 2019

Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties

artículo científico publicado en 2016

By what mechanisms are metal cyclobutadiene complexes formed from alkynes?

artículo científico publicado en 2004

CNN pincer ruthenium catalysts for hydrogenation and transfer hydrogenation of ketones: experimental and computational studies.

artículo científico publicado en 2014

Can five-membered Te2N2S rings be considered aromatic?

Can self-assembly of copper(ii) picolinamide building blocks be controlled?

Catalytic Activity of Molybdenum(II) Complexes in Homogeneous and Heterogeneous Conditions

Catalyzing Aldehyde Hydrosilylation with a Molybdenum(VI) Complex: A Density Functional Theory Study

artículo científico publicado en 2007

Cationic Half-Sandwich Iron(II) and Iron(III) Complexes with N-Heterocyclic Carbene Ligands

Charge parametrization of the DvH-c3 heme group: validation using constant-(pH,E) molecular dynamics simulations

artículo científico publicado en 2012

Chemistry of platinum sulphido-complexes. Part 3. Crystal and molecular structure of tetrasulphido[1,2-bis(diphenylphosphino)ethane]platinum(II) and a study of its bonding and reactions

Chemoselective Sulfide and Sulfoxide Oxidations by CpMo(CO)3Cl/HOOR: a DFT Mechanistic Study

Chemoselectivity as a delineator of cuprate structure in catalytic 1,4-addition of diorganozinc reagents to Michael acceptors

artículo científico publicado en 2010

Comparing spectroscopic and electrochemical properties of complexes of type Cp’M(η 3 -C 3 H 5 )(CO) 2 (Cp’ = Cp, Ind, Flu): A complementary experimental and DFT study

Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands

scientific article published on 07 August 2020

Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study

Correction: Synthesis, cytotoxic and hydrolytic studies of titanium complexes anchored by a tripodal diamine bis(phenolate) ligand

scientific article published on 01 February 2015

Cu(I) and Ag(I) complexes of chalcogenide derivatives of the organometallic ligand dppf and the dppa analogue

Cyanide–isocyanide isomers in polynuclear complexes. Reactivity and theoretical studies

Cytotoxicities of Polysubstituted Chlorodicarbonyl(cyclopentadienyl) and (Indenyl)ruthenium Complexes

Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions

artículo científico publicado en 2016

Di-η5-cyclopentadienylmetal complexes with nitrogen donor atom ligands: New imidazole, N-methylimidazole, pyrazole and 2,2′-bisimidazole complexes of molybdenum and tungsten

scholarly article by Maria José Calhorda & Alberto R. Dias published September 1980 in Journal of Organometallic Chemistry

Dimensionality and metal-metal and metal-oxygen bonding in the sodium niobate (NaNb3O6) structure

scientific article published in 1988

Dinuclear Zinc-N-Heterocyclic Carbene Complexes for Either the Controlled Ring-Opening Polymerization of Lactide or the Controlled Degradation of Polylactide Under Mild Conditions

Disappearing and Concomitant Polymorphism of Nickel(II) Complexes with 6-Hydroxypicolinic Acid. Structural and Density Functional Theory Studies

scholarly article by Boris-Marko Kukovec et al published 4 August 2010 in Crystal Growth & Design

Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound

artículo científico publicado en 2016

Effects of oxygenation on the intercalation of 1,10-phenanthroline-5,6/4,7-dione between DNA base pairs: a computational study

scientific article published on 01 June 2017

Electrochemical Oxidation of CoCp(CO)2: Radical−Substrate Reaction of a 17 e-/18 e-Pair and Production of a Unique Dimer Radical

article

Electrochemical behaviour, IR spectroelectrochemistry and theoretical studies of tetracobalt carbonyl cluster complexes with a facial cyclooctatetraene ligand

Electrochemical studies and potential anticancer activity in ferrocene derivatives

Electrochemistry and bonding in biscyclopentadienyl complexes of molybdenum, tungsten, and niobium with o-phenanthroline and bipyridine. Crystal an

scholarly article by Maria José Calhorda et al published March 1992 in Journal of Organometallic Chemistry

Electronic Structure and Hydrogen Bonding in a Dicobalt(III) Werner Complex

Electronic Structure of Ytterbium Bis-indenyl and -cyclopentadienyl α-Diimine Complexes: A DFT and MS-CASPT2 Investigation

Electronic Structure of the 1:1 Mixed Molecular and Polymeric Conductor (perylene)Co(mnt)2(CH2Cl2)0.5 and Comparison with the 2:1 .alpha.-(perylene)2M(mnt)2 Phases

Energetics of metal-sulfur bonds in the complexes M(.eta.5-C5H5)2(SC2H5)2 (M = Ti, W) and W(.eta.5-C5H5)2(SC6H5)2. Molecular structure of Ti(.eta.5-C5H5)2(SC2H5)2

Energetics of transition-metal-sulfur and -oxygen bonds in M(.eta.5-C5H5)2L2 complexes (M = Ti, Mo, W). Molecular structure of Mo(.eta.5-C5H5)2(SO4)

Enthalpies of formation of complexes [M(η-C5H5)2(SR)2](M = Mo, W, or Ti; R = C3H7, C4H9, or C6H5); metal–sulphur bond enthalpies

Enthalpies of formation of complexes [Ti(η-C5H5)2(N3)2] and [Ti(η-C5H5)2(NC8H6)2]

Exocyclic coordination of the η3-fluorenyl, η3-cyclopenta[def]phenanthrenyl and η3-8,9-dihydrocyclopenta[def]phenanthrenyl anions: X-ray crystal structures, NMR fluxionality and theoretical studies

Fe(III) salEen derived Schiff base complexes as potential contrast agents

Ferrocenylsilatranes a synthetic, structural and theoretical investigation

From molecules to aggregates: crystal structures of molybdenum binuclear complexes

artículo científico publicado en 2000

Geometry Optimization of a Ru(IV) Allyl Dicationic Complex: A DFT Failure?

scientific article published on 01 March 2007

Gold(I)−Gold(III) Interactions in Polynuclear Sulfur-Centered Complexes. Synthesis and Structural Characterization of [S(Au2dppf){Au(C6F5)3}] and [{S(Au2dppf)}2{Au(C6F5)2}]OTf (dppf = 1,1‘-Bis(diphenylphosphino)ferrocene)

Haptotropic Shifts of Indenyl and Other Related π Ligands

Hepta-coordinate halocarbonyl molybdenum(II) and tungsten(II) complexes as heterogeneous polymerization catalysts

Heptacoordinate dithiophosphate Mo(II) and W(II) complexes: molecular structures of mono and binuclear phosphine complexes

Heptacoordinate dithiophosphate W(II) and Mo(II) complexes of diphosphines and iodide

Heterodinuclear Ni(ii) and Cu(ii) Schiff base complexes and their activity in oxygen reduction

artículo científico publicado en 2016

Heteropolynuclear gold complexes with metallophilic interactions: modulation of the luminescent properties.

artículo científico publicado en 2010

High-Yield Ruthenium-Catalyzed Friedel–Crafts-Type Allylation Reactions Using Dicationic RuIV Catalysts

scientific article published on 01 September 2006

Highly Efficient Reduction of Sulfoxides with the System Borane/Oxo-rhenium Complexes†

scholarly article by Ana C. Fernandes et al published 8 November 2010 in Organometallics

How bridging ligands and neighbouring groups tune the gold-gold bond strength

artículo científico publicado en 1996

How the Intercalation of Phenanthroline Affects the Structure, Energetics, and Bond Properties of DNA Base Pairs: Theoretical Study Applied to Adenine–Thymine and Guanine–Cytosine Tetramers

artículo científico publicado en 2015

Hydrocarbyl derivatives of [UCl2HB(pz)32]: Synthesis, characterization and reactivity studies towards protic substrates and ketones

Hydrogen activation by high-valent oxo-molybdenum(vi) and -rhenium(vii) and -(v) compounds

artículo científico publicado en 2008

Hyperelectronic Metal−Carborane Analogues of Cymantrene (MnCp(CO)3) Anions: Electronic and Structural Noninnocence of the Tricarbadecaboranyl Ligand

Indenyl effect in dissociative reactions. Nucleophilic substitution in iron carbonyl complexes: a case study

artículo científico publicado en 2011

Indenyl ring slippage in crown thioether complexes [IndMo(CO)2L]+ and C-S activation of trithiacyclononane: experimental and theoretical studies.

artículo científico publicado en 2011

Influence of activated carbons porous structure on iopamidol adsorption

scholarly article in Carbon, vol. 77, October 2014

Influence of the ligand donor atoms on the in vitro stability of rhenium(I) and technetium (I)-99m complexes with pyrazole-containing chelators: Experimental and DFT studies

scholarly article by Carolina Moura et al published March 2009 in Journal of Organometallic Chemistry

Insertion of isonitrile into the Mo–C bond of [MoCp2(CH3)(CNH)]+: a density functional study

Interplay of ketenyl and nitrile ligands on d6-transition metal centres. Acetonitrile as an end-on (two-electron) and a side-on (four-electron) ligand

article published in 1999

Intramolecular and Intermolecular Bonding in Benzene Cluster Isomers

Intramolecular and Intermolecular Bonding in Ru3(CO)12, Ru3(CO)9(.mu.3:.eta.2:.eta.2:.eta.2-C6H6), and Ru3(CO)6(.mu.-CO)3(.mu.3-S3C3H6)

Irreversible Magnetic Behaviour Caused by the Thermosalient Phenomenon in an Iron(III) Spin Crossover Complex

Kinetic Studies on the Oxidation of η5-Cyclopentadienyl Methyl Tricarbonyl Molybdenum(II) and the Use of Its Oxidation Products as Olefin Epoxidation Catalysts

Ligand Dependence of the Indenyl Ring Slippage in [(η5-Ind)MoL2(CO)2]0,+Complexes: Experimental and Theoretical Studies

Loading and delivery of sertraline using inorganic micro and mesoporous materials

artículo científico publicado en 2006

Low-lying excited states and primary photoproducts of [Os3(CO)10(s-cis-L)] (L=cyclohexa-1,3-diene, buta-1,3-diene)] clusters studied by picosecond time-resolved UV/Vis and IR spectroscopy and by density functional theory

artículo científico publicado en 2004

Luminescent Di- and Trinuclear Boron Complexes Based on Aromatic Iminopyrrolyl Spacer Ligands: Synthesis, Characterization, and Application in OLEDs

artículo científico publicado en 2015

Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect

scientific article published on 15 July 2020

MO architectures of octahedral metal clusters

article by Carlo Mealli et al published November 1993 in Inorganica Chimica Acta

Mapping the Mechanism of Nickel-Ferrophite Catalysed Methylation of Baylis-Hillman-Derived SN2′ Electrophiles

scholarly article by Andrew Novak et al published February 2009 in European Journal of Organic Chemistry

Marked influence of the bridging carbonyl ligands on the photo- and electrochemistry of the clusters [Ru3(CO)8(μ-CO)2(α-diimine)] (α-diimine = 2,2′-bipyridine, 4,4′-dimethyl-2,2′-bipyridine and 2,2′-bipyrimidine)

article by Frank W. Vergeer et al published 2003 in Dalton Transactions

Mechanism for the cyclotrimerization of alkynes and related reactions catalyzed by CpRuCl

artículo científico publicado en 2003

Mechanistic Study of the Direct Intramolecular Allylic Amination Reaction Catalyzed by Palladium(II)

Metal-carbon “bond strengths” in Cr(CO)6, Cr(η-C6H6)2, and Cr(CO)3(η-C6H6)

article published in 1984

Metal-metal interactions, a pairing distortion, and S-lined channels in the M2Ta9S6 structure

Methylisocyanide derivatives of molybdenocene and tungstenocene: preparation, reactivity and electronic structure: crystal structures of [(η5-C5H5)2WBr(CNMe)]Br and [(η5-C5H5)2{N(H)CH3}][BF4]2· CH3CN

Mixed-Ligand Rhenium Tricarbonyl Complexes Anchored on a (κ2-H,S) Trihydro(mercaptoimidazolyl)borate: A Missing Binding Motif for Soft Scorpionates

scholarly article by Margarida Videira et al published March 2008 in Organometallics

Mo(II) complexes of 8-aminoquinoline and their immobilization in MCM-41

Mo(II) complexes: a new family of cytotoxic agents?

artículo científico publicado en 2010

Molecular Metals Based on 1,2,7,8-Tetrahydrodicyclopenta[cd:lm]perylene and Iodine, (CPP)2(I3)1-.delta

Molecular Structure, Dynamics, and Crystal Organization of [(.mu.-Cl)3{(.eta.6-arene)Ru}2][BF4] (Arene = C6H6 and C6H5Me) and a Bonding Study by Extended-Hueckel Calculations

article published in 1995

Molecular Structures of M2(CO)9and M3(CO)12(M = Fe, Ru, Os): New Theoretical Insights

artículo científico publicado en 1999

Molecular and Crystal Structures of Cubane-like Ru−O Complexes and the Molecular Orbital Analysis of an Unusual π−π Interaction Stabilized by C−H···O Hydrogen Bonds

Molecular modelling studies of N-salicylideneamino acidato complexes of oxovanadium(iv). Molecular and crystal structure of a new dinuclear LOVIV–O–VVOL mixed valence complex

Molecular orbital calculations on model Fe(CO)2L(.eta.4-enone) complexes with L = CO, PH3, and P(OH)3. Electronic and steric effects in Fe(CO)2L(.eta.4-benzylideneacetone)

Molecular structure and crystal organization of neutral and ionic derivatives of [M4(CO)12](M = Co, Rh or Ir) clusters and a bonding study by extended-Hückel calculations

Molecular structure and crystal structure generation for [Fe3(CO)12]

artículo científico publicado en 1995

Molybdenum(II) Complexes with α-Diimines: Catalytic Activity in Organic and Ionic Liquid Solvents

Molybdenum(II) catalyst precursors in olefin oxidation reactions

article published in 2015

Mono- and binuclear bipyridyl derivatives of the Mo(η3-C3H5)(CO)2 fragment: structural studies and fluxionality in solution

Mono- and heterometallic carbonyl precursor based RuMo/Al 2 O 3 catalysts: hydrodesulfurization activity and temperature programmed studies

Multiple Bonds between Main-Group Elements and Transition Metals. 123. Re-C Bond Homolysis in Alkyl- and Arylrhenium Trioxides: A Qualitative MO Interpretation

N-Salicylideneamino acidato complexes of oxovanadium(IV). The cysteine and penicillamine complexes.

artículo científico publicado en 2004

New Cu(i) and Ag(i) binuclear complexes containing the dppa ligand

New Mo(II) complexes in MCM-41 and silica: Synthesis and catalysis

New Molybdenum(II) Complexes with α-Diimine Ligands: Synthesis, Structure, and Catalytic Activity in Olefin Epoxidation

artículo científico publicado en 2019

New heterogeneous catalysts with Mo(II) intercalated in layered double hydroxides

Nitrogen donor ligands bearing N–H groups: Effect on catalytic and cytotoxic activity of molybdenum η3-allyldicarbonyl complexes

article

Nuclear magnetic resonance studies of sulfur inversion in bis(cyclopentadienyl)-molybdenum and -tungsten complexes with dithioethers

Nucleophilic and electrophilic reactions of C5 cyclo-polyenes coordinated to the [CpMoL2]n+ fragment (n = 1,2; L = 1/2dppe, PMe3, P(OMe)3, CO)

Octahedral bipyridine and bipyrimidine dioxomolybdenum(VI) complexes: characterization, application in catalytic epoxidation, and density functional mechanistic study

artículo científico publicado en 2002

Olefin Epoxidation Catalyzed by η5-Cyclopentadienyl Molybdenum Compounds: A Computational Study

Olefin epoxidation with tert-butyl hydroperoxide catalyzed by MoO2X2L complexes: a DFT mechanistic study

artículo científico publicado en 2006

Opening the Way to Catalytic Aminopalladation/Proxicyclic Dehydropalladation: Access to Methylidene γ-Lactams

artículo científico publicado en 2016

Organometallic Chemistry in Portugal

article

Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(η5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6]

scholarly article by Alberto R. Dias et al published February 1998 in Journal of Organometallic Chemistry

Origin of Enantioselectivity in Palladium-Catalyzed Asymmetric Allylic Alkylation Reactions Using Aminophosphine Ligands

PGSE NMR Diffusion, Overhauser, and DFT Studies on the Salts [Pd(η3-CH3CHCHCHPh)(dppe)](anion)

article published in 2005

Photochemistry of Methyltrioxorhenium Revisited: A DFT/TD-DFT and CASSCF/MS-CASPT2 Theoretical Study

Photophysical properties of iminopyrrolyl boron complexes: a DFT interpretation

artículo científico publicado en 2012

Porous materials as delivery and protective agents for Vitamin A

scholarly article in RSC Advances, vol. 6 no. 71, 2016

Preference for sulfoxide S- or O-bonding to 3d transition metals – DFT insights

Pseudopolymorphism in Nickel(II) Complexes with 6-Methylpicolinate. Synthesis, Structural, Spectroscopic, Thermal, and Density Functional Theory Studies

scholarly article by Boris-Marko Kukovec et al published 3 September 2008 in Crystal Growth & Design

Pyridine Carboxylate Complexes of MoII as Active Catalysts in Homogeneous and Heterogeneous Polymerization

Radical reactions of diamine bis(phenolate) vanadium(iii) complexes. Solid state binding of O2 to form a vanadium(v) peroxo complex.

artículo científico

Reaction of Ph2P(CH2)nPPh2 (n=1, 3, 5) with elemental tellurium and comparison with members of even-numbered series

scholarly article by Lukáš Jeremias et al published March 2016 in Inorganica Chimica Acta

Reaction of Spiro[2.4]hepta-4,6-diene with Molybdenum(II) Indenyl Compounds: Effects of Substitution in the Indenyl Ligand

Remote Metal-Arene π Bonding in Organometallic Complexes: a DFT Study

Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes

Rhodaoxetane: synthesis, structure, and theoretical evaluation

Ring Slippage vs Charge Transfer in the Reductive Chemistry of [IndMo(CO)2(α-diimine)]+Cations

Ring slippage in indenyl complexes: structure and bonding

Ruthenium-Catalyzed Allylic Alkylation Reactions: Carbonate-Based Catalysts and Intermediates

scientific article published on 01 July 2005

Ruthenium-mediated cyclotrimerization of alkynes utilizing the cationic complex [RuCp(CH3CN)3]PF6

Selecting the spin crossover profile with controlled crystallization of mononuclear Fe(iii) polymorphs

scientific article published on 01 May 2018

Selective C-C bond formation between alkynes mediated by the [RuCp(PR)(3)](+) fragment leading to allyl, butadienyl, and allenyl carbene complexes--an experimental and theoretical study

artículo científico publicado en 2002

Silver(I) and copper(I) complexes with ferrocenyl ligands bearing imidazole or pyridyl substituents

Six-coordinate high-spin iron(ii) complexes with bidentate PN ligands based on 2-aminopyridine - new Fe(ii) spin crossover systems

artículo científico publicado en 2014

Soluble redox-active polymetallic chains [{Ru0(CO)(L)(bpy)}m](n) (bpy = 2,2'-bipyridine, L = PrCN, Cl-; m = 0, -1): electrosynthesis and characterization

artículo científico publicado en 2009

Solvent-dependent formation of Os(0) complexes by electrochemical reduction of [Os(CO)(2,2'-bipyridine)(L)Cl2]; L = Cl(-), PrCN.

artículo científico publicado en 2014

Some problems in the oxidative addition and binding of ethylene to a transition-metal center

article

Stepwise hapticity changes in sequential one-electron redox reactions of indenyl-molybdenum complexes: combined electrochemical, ESR, X-ray, and theoretical studies

artículo científico publicado en 2001

Stereoelectronic causes of an unusual coordination geometry of an acetylene

Striking Differences between the Solution and Solid-State Reactivity of Iron PNP Pincer Complexes with Carbon Monoxide

Structural and Theoretical Analysis of M−H- - -H−M and M−H- - -H−CIntermolecularInteractions

Structural characterisation and DFT studies of [Cr(cyclam)(O-dmso)Cl]2+: a new precursor complex towards potential DNA intercalators

Structural preferences and isomerism in nickel(II) and copper(II) complexes with 3-hydroxypicolinic acid

scholarly article by Boris-Marko Kukovec et al published May 2012 in Polyhedron

Structural preferences of cyclopentadienyl and indenyl rings in iridium(I) carbene complexes

scholarly article by Martina Prinz et al published October 2006 in Journal of Organometallic Chemistry

Structure, bonding and reactivity of seven-coordinate allylic Mo(II) and W(II) complexes

Studies on the transferability of transition-metal-carbon and -hydrogen bond enthalpies in bis(cyclopentadienyl) complexes

Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2

scholarly article by Lukáš Jeremias et al published 2014 in RSC Advances

Surface Models for the Adsorption of a Calcium beta-Diketonate Complex on Calcium Sulfide

Syntheses and photophysical properties of new iminopyrrolyl boron complexes and their application in efficient single-layer non-doped OLEDs prepared by spin coating

article

Syntheses, X-ray structures, photochemistry, redox properties, and DFT calculations of interconvertible fac- and mer-[Mn(SPS)(CO)3] isomers containing a flexible SPS-based pincer ligand

artículo científico publicado en 2005

Syntheses, electrochemistry, and bonding of bis(cyclopentadienyl)molybdenum alkyl complexes. Molecular structure of Mo(.eta.5-C5H5)2(C4H9)2. Thermochemistry of Mo(.eta.5-C5H5)2R2 and Mo(.eta.5-C5H5)2L (R = CH3, C2H5, C4H9; L = ethylene, diphenylacety

article by Maria José Calhorda et al published February 1991 in Organometallics

Synthesis and Characterization of Triosmium Clusters Containing the Bidentate Ligand Ph2PCH2CH2SMe: Detection of an Isomerization Reaction Involving Bridging and Chelating Ligand Coordination Modes

Synthesis and Molecular Structure of Tetraruthenium Cluster Isomers with Different Electron Counts

Synthesis and characterisation of organo-silica hydrophobic clay heterostructures for volatile organic compounds removal

article

Synthesis and ligand properties towards gold and silver of the ferrocenylamidobenzimidazole ligand

Synthesis and properties of new trinuclear Mo(II) complexes containing imidazole and benzimidazole ferrocene units

Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ2P,N- and κ3P,N,P-bound PNP pincer ligands

artículo científico publicado en 2015

Synthesis and reactivity of molybdenocene isocyanide complexes; crystal structure of (η5-C5H5)2MoCNtBu

Synthesis of tetrahydronaphthalene lignan esters by intramolecular cyclization of ethyl p-azidophenyl-2-phenylalkanoates and evaluation of the growth inhibition of human tumor cell lines.

artículo científico publicado en 2011

Synthesis, Structure, Luminescence, and Theoretical Studies of Tetranuclear Gold Clusters with Phosphinocarborane Ligands

scientific article published on 01 September 2000

Synthesis, X-ray structures, electrochemistry, magnetic properties, and theoretical studies of the novel monomeric [CoI2(dppfO2)] and polymeric chain [CoI2(μ-dppfO2)n]

article by Teresa Avilés et al published 2002 in Dalton transactions RSC

Synthesis, characterization and bonding of fulvalene dimolybdenum(III) and ditungsten(III) cations with one thiolate bridging ligand. Crystal structure of [Mo2(μ-η5: η5-C10H8)(μ-SC6H5)(μ5-C5H5) 2][Re2(μ-SC6H5)3(CO)6]

Synthesis, cytotoxic and hydrolytic studies of titanium complexes anchored by a tripodal diamine bis(phenolate) ligand.

artículo científico publicado en 2014

Synthesis, molecular and electronic structure of Ru3 isomeric clusters carrying C8 rings bonded in allenylic and acetylenic modes

Synthesis, structural characterization, and theoretical studies of gold(I) and gold(I)-gold(III) thiolate complexes: quenching of gold(I) thiolate luminescence

artículo científico publicado en 2006

Synthesis, structure, and photophysical characterization of blue-green luminescent zinc complexes containing 2-iminophenanthropyrrolyl ligands

artículo científico publicado en 2009

Tetraaza macrocycles containing pyridine and their copper(II) and nickel(II) complexes: X-ray, spectroscopic, molecular mechanics and molecular orbital studies

scholarly article by Vitor Félix et al published 1996 in Dalton transactions RSC

TeTe interactions in inorganic rings with sulfur donors

The H⋯H interaction in the solid state structure of HMn(CO)5

The carbon-carbon bond-forming step in catalytic cross-coupling: migration or elimination?

article by Maria José Calhorda et al published May 1991 in Organometallics

The effect of the counter ion on M–H···H–X (X=O, N) interactions in crystalline transition metal hydrides

The nature of the indenyl effect

artículo científico publicado en 2002

The role of cyclopentadienyl versus indenyl in Mo(II) spirodiene complexes reactivity: A DFT mechanistic study

article published in 2010

Theoretical Analysis of Bonding and Stereochemical Trends in Doubly Bridged Copper(I)−Copper(I) Dimers

Theoretical comparison of the “slip” distortion and rotational barriers in comparable seven and twelve vertex carbaplatinaboranes

Toward the understanding of radical reactions: experimental and computational studies of titanium(III) diamine bis(phenolate) complexes.

artículo científico publicado en 2013

Tris(organotin)tungstogermanate, a Sandwich Organometallic Derivative of a Keggin-Type Polyoxometalate: Synthesis and DFT Study

Tunable fluorophores based on 2-(N-arylimino)pyrrolyl chelates of diphenylboron: synthesis, structure, photophysical characterization, and application in OLEDs.

artículo científico publicado en 2014

Unprecedented eta3-M3 coordination mode in a terpyridine ligand

artículo científico publicado en 2005

Unravelling the dissociation pathways of acetic acid upon electron transfer in potassium collisions: experimental and theoretical studies

artículo científico publicado en 2016

Unveiling the Mechanisms of Catalytic Oxidation Reactions Mediated by Oxo-Molybdenum Complexes: A Computational Overview

Unveiling the dual role of the cholinium hexanoate ionic liquid as solvent and catalyst in suberin depolymerisation

scholarly article in RSC Advances, vol. 4 no. 6, 2014

Uranium-ligand bond dissociation enthalpies in uranium(IV) polypyrazolylborate complexes

scholarly article by Joao Paulo Leal et al published April 1992 in Organometallics

Vanadyl cationic complexes as catalysts in olefin oxidation

artículo científico publicado en 2015

Vibrational Study on the Local Structure of Post-Synthesis and Hybrid Mesoporous Materials: Are There Fundamental Distinctions?

artículo científico publicado en 2007

Violet-blue emitting 2-(N-alkylimino)pyrrolyl organoboranes: Synthesis, structure and luminescent properties

Visible Light Induced Photocatalytic Degradation of Rhodamine B on One-Dimensional Iron Oxide Particles

scientific article published on 04 January 2021

Weak hydrogen bonds: theoretical studies

article published in 2000

Weak η2-Olefin Bonding in Palladium and Platinum Allyl Cationic Complexes Containing Chiral Monodentate Ligands with α-Phenyl Methyl Amine Side Chains

Wittig Reaction: Domino Olefination and Stereoselectivity DFT Study. Synthesis of the Miharamycins' Bicyclic Sugar Moiety.

artículo científico publicado en 2015

X-ray,13C NMR, and DFT Studies on a Ruthenium(IV) Allyl Complex. Explanation for the Observed Control of Regioselectivity in Allylic Alkylation Chemistry

Zirconocene Catalysts: Ion-pairs, Zwitterions, or Weakly Bound Molecules?

article by Dario Braga et al published February 2000 in Journal of inorganic and general chemistry

[Re(eta(5)-C5H5)(CO)3]+ family of 17-electron compounds: monomer/dimer equilibria and other reactions.

artículo científico publicado en 2008

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