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List of works by Helmut Schwarz

"Roll-over" cyclometalation of 2,2'-bipyridine platinum(II) complexes in the gas phase: a combined experimental and computational study

scientific article

"Stripping" the carbon atom of methyl halide by a cationic holmium complex: a gas-phase study

scientific article published on 25 August 2015

A DFT-based analysis of the grossly varying reactivity pattern in room-temperature activation and dehydrogenation of CH4 by main-group atomic M+ (M=Ga, Ge, As, and Se)

scientific article published on 01 November 2009

A Gas-Phase Model for the Pt+ -Catalyzed Coupling of Methane and Ammonia.

scientific article published in April 1998

A Gas‐Phase Reaction as a Functional Model for the Activation of Carbon Dioxide by Carbonic Anhydrase ⬇️

scientific article published on October 27, 2003

A Reaction-Induced Localization of Spin Density Enables Thermal C-H Bond Activation of Methane by Pristine FeC4

scientific article published on 13 August 2019

A computational study on the intriguing mechanisms of the gas-phase thermal activation of methane by bare [Ni(H)(OH)]+

scientific article published on 03 February 2012

A density-functional theory based study on the 16O/18O-exchange reactions of the prototype iron-oxygen compounds FeO+ and FeOH+ with H2(18)O in the gas phase

scientific article published in May 2000

A redox non-innocent ligand controls the life time of a reactive quartet excited state - an MCSCF study of [Ni(H)(OH)](+)

scientific article published on 01 September 2009

Activation of Methane and Carbon Dioxide Mediated by Transition-Metal Doped Magnesium Oxide Clusters [MMgO](+/0/-) (M=Sc-Zn).

scientific article published on 13 April 2015

Bond Activation by Metal-Carbene Complexes in the Gas Phase.

scientific article published on 12 February 2016

Bonding in cationic MCH2+ (M=K-La, Hf-Rn): a theoretical study on periodic trends.

scientific article published in May 2010

Breaking and Making of Carbon-Carbon Bonds by Lanthanides and Third-Row Transition Metals.

scientific article published on 27 January 2016

Car-Parrinello molecular dynamics study of the rearrangement of the valeramide radical cation.

scientific article published in September 2003

Carbon-Atom Extrusion from Halobenzenes and Its Coupling with a Methylene Ligand to Form Acetylene.

scientific article published on 3 June 2015

Catalytic redox reactions in the CO/N2O system mediated by the bimetallic oxide-cluster couple AlVO3+/AlVO4+.

scientific article published on 27 September 2011

Chemistry with Methane: Concepts Rather than Recipes ⬇️

scientific article published on June 8, 2011

Competition of electron transfer, dissociation, and bond-forming processes in the reaction of the CO(2)(2+) dication with neutral CO(2)

scientific article published on 25 June 2008

Competition of proton and electron transfers in gas-phase reactions of hydrogen-containing dications CHX2+ (X = F, Cl, Br, I) with atoms, nonpolar and polar molecules

scientific article published on 01 March 2006

Competitive complexation of gaseous Mn(II) by 1,10-phenanthroline, 2,2'-bipyridine, and 4,5-diazafluorene.

scientific article published in July 2005

Complete cleavage of the N≡N triple bond by Ta2N+ via degenerate ligand exchange at ambient temperature: A perfect catalytic cycle

scientific article published on 07 October 2019

Computational exploration of rearrangements related to the vitamin B12-dependent ethanolamine ammonia lyase catalyzed transformation.

scientific article

Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of Methane

scientific article

Conversion of methane to methanol: nickel, palladium, and platinum (d9) cations as catalysts for the oxidation of methane by ozone at room temperature

scientific article published on 08 September 2010

Coordination of iron(III) cations to beta-keto esters as studied by electrospray mass spectrometry: implications for iron-catalyzed Michael addition reactions.

scientific article published in January 2005

Correction to "Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects"

scientific article published on 26 February 2019

Correction to Effect of Adduct Formation with Molecular Nitrogen on the Measured Collisional Cross Sections of Transition Metal-1,10- Phenanthroline Complexes in Traveling Wave Ion-Mobility Spectrometry: N2 Is Not Always an "Inert" Buffer Gas.

scientific article published on 28 October 2015

Counter-Intuitive Gas-phase Reactivities of [V2 ]+ and [V2 O]+ towards CO2 Reduction: Insight from Electronic Structure Calculations

scientific article published on 26 February 2020

Coupling of methane and ammonia by dinuclear bimetallic platinum-coinage-metal cations PtM+

scientific article published on 01 January 2004

Crossed-beam scattering studies of electron-transfer processes between the dication CO2(2+) and neutral CO2: electronic states of reactants and products involved

scientific article published on 01 June 2010

C–N coupling in the gas-phase reactions of ammonia and [M(CH)]+ (M = Ni, Pd, Pt): a combined experimental/computational exercise ⬇️

scientific article published on March 28, 2013

CN and CC Bond Formations in the Thermal Reactions of “Bare” Ni(NH2)+with C2H4: Mechanistic Insight on the Metal‐Mediated Hydroamination of an Unactivated Olefin ⬇️

scientific article published on February 10, 2012

Decomposition of neutral, singly and doubly protonated benzoquinone in the gas phase.

scientific article published in January 2005

Degradation of ionized OV(OCH3)3 in the gas phase. From the neutral compound all the way down to the quasi-terminal fragments VO+ and VOH+

scientific article published on 01 August 2006

Dehydrogenation of methanol by vanadium oxide and hydroxide cluster cations in the gas phase.

scientific article

Diastereoselectivity in the McLafferty rearrangement of photoionized 3-methyl valeramide.

scientific article

Diatomic [CuO]+ and Its Role in the Spin-Selective Hydrogen- and Oxygen-Atom Transfers in the Thermal Activation of Methane

scientific article published on 21 April 2011

Differences and Commonalities in the Gas-Phase Reactions of Closed-Shell Metal Dioxide Clusters [MO2 ](+) (M=V, Nb, and Ta) with Methane.

scientific article

Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO4 ].+ /C2 H4 Couple by Gas-Phase Vibrational Spectroscopy

scientific article published on 08 November 2019

Direct Room-temperature Conversion of Methane to Protonated Formaldehyde: the Unique Gas-Phase Chemistry of Mercury Among the Zinc Triad Oxide Cations.

scientific article published on 24 January 2018

Direct conversion of methane into formaldehyde mediated by [Al2O3]˙+ at room temperature

Directed, remote gas-phase C-H and C-C bond activations by metal oxide cations anchored to a nitrile group.

scientific article published on 5 January 2011

Dissociation routes of protonated toluene probed by infrared spectroscopy in the gas phase

scientific article published on 01 July 2006

Distinct mechanistic differences in the hydrogen-atom transfer from methane and water by the heteronuclear oxide cluster [Ga2 MgO4](.).

scientific article published on 01 July 2015

Doping Effects in Cluster-Mediated Bond Activation.

scientific article published on 18 June 2015

Effect of adduct formation with molecular nitrogen on the measured collisional cross sections of transition metal-1,10-phenanthroline complexes in traveling wave ion-mobility spectrometry: N2 is not always an "inert" buffer gas.

scientific article published on 17 September 2015

Efficient Room-Temperature Activation of Methane by TaN(+) under C-N Coupling

scientific article published on 11 August 2016

Efficient Room-Temperature Methane Activation by the Closed-Shell, Metal-Free Cluster [OSiOH](+) : A Novel Mechanistic Variant.

scientific article published on 12 August 2016

Efficient Room-Temperature, Au(+)-Mediated Coupling of a Carbene Ligand with Methane To Generate C2Hx (x = 4, 6).

scientific article published on 18 November 2015

Efficient and Selective Gas‐Phase Monomethylation versus NH Bond Activation of Ammonia by “Bare” Zn(CH3)+: Atomic Zinc as a Leaving Group in an SN2 Reaction ⬇️

scientific article published on April 28, 2011

Electronic Effects on Room-Temperature, Gas-Phase C-H Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge.

scientific article published on 7 November 2017

Electronic Origin of the Competitive Mechanisms in the Thermal Activation of Methane by the Heteronuclear Cluster Oxide [Al2 ZnO4 ].

scientific article published in June 2017

Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2](+) (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer.

scientific article published on 30 May 2016

Electrostatic and Charge-Induced Methane Activation by a Concerted Double C-H Bond Insertion.

scientific article

Energy barriers for isomerization of gaseous C3H5+ ions

scientific article published in 1979

Experimental Identification of the Active Site in the Heteronuclear [AlVOx]+·/CO/N₂O (x = 3, 4) Redox Couples by Gas-Phase IR Spectroscopy

scientific article published on 26 April 2018

Experimental and theoretical studies of diatomic gold halides

scientific article published on 01 May 2002

Facile dissociation of [(LNi(II))2E2] dichalcogenides: evidence for [LNi(II)E2] superselenides and supertellurides in solution.

scientific article published in January 2009

Fragmentation of the (Cyclam-acetato)iron Azide Cation in the Gas Phase

Fundamental research needs excellent scientists and its own space

scientific article published on 08 December 2011

Gas-phase C-H and N-H bond activation by a high valent nitrido-iron dication and NH-transfer to activated olefins

scientific article published on 8 March 2008

Gas-phase activation of methane by ligated transition-metal cations

scientific article (publication date: 25 November 2008)

Gas-phase catalysis by atomic and cluster metal ions: the ultimate single-site catalysts.

scientific article

Gas-phase infrared photodissociation spectroscopy of tetravanadiumoxo and oxo-methoxo cluster anions.

scientific article

Gas-phase reactions of cationic vanadium-phosphorus oxide clusters with C2H(x) (x=4, 6): a DFT-based analysis of reactivity patterns.

scientific article published on 15 January 2013

Gas-phase reactions of chromium and chromium fluoride cations CrFn+ (n = 0-4) with phosphane

scientific article published on 01 December 2000

Gaseous iron(II) and iron(III) complexes with BINOLate ligands.

scientific article published on 4 November 2007

Generation of the elusive meta-benzoquinone in the gas phase.

scientific article published in May 2005

Generation, reactivity towards hydrocarbons, and electronic structure of heteronuclear vanadium phosphorous oxygen cluster ions.

scientific article published on 5 January 2011

HCSiF and HCSiCl: The First Detection of Molecules with Formal C≡Si Triple Bonds.

scientific article published in February 1999

Helmut Schwarz

scientific article published on May 3, 2012

Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC](+) with Methane under Ambient Conditions.

scientific article published on 20 September 2016

High-energy collisions of organofullerene cations with helium. Ligand evaporation caused by encapsulation of the noble gas atom

Highly regioselective hydride transfer, oxidative dehydrogenation, and hydrogen-atom abstraction in the thermal gas-phase chemistry of [Zn(OH)](+)/C3H8

scientific article published on 01 December 2014

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy

scientific article published on 29 January 2019

Inherent Asymmetry of Constitutionally Equivalent Methyl Groups in the H/D Equilibration of n- and i-C(3)H(7)Fe(OH)(+) Complexes We thank the Volkswagen-Stiftung, the Deutsche Forschungsgemeinschaft, and the Fonds der Chemischen Industrie for genero

article published in 2001

Inherent Asymmetry of Constitutionally Equivalent Methyl Groups in the H/D Equilibration of n- and i-C3 H7 Fe(OH)+ Complexes

scientific article published in July 2001

Innocent and less-innocent solvent ligands: a systematic investigation of cationic iron chloride/alcohol complexes by electrospray ionization mass spectrometry complemented by DFT calculations.

scientific article published in March 2006

Intermediates of N-Heterocyclic Carbene (NHC) Dimerization Probed in the Gas Phase by Ion Mobility Mass Spectrometry: C-H⋅⋅⋅:C Hydrogen Bonding Versus Covalent Dimer Formation

scientific article published on 17 January 2019

Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects

scientific article published on 19 December 2018

Ion chemistry of OV(OCH3)3 in the gas phase: molecular cations and anions and their primary fragmentations

scientific article published on 01 March 2004

Ion chemistry of anti-o,o dibenzene

scientific article published on 01 December 2000

Ion-molecule reactions of "rollover" cyclometalated [Pt(bipy-H)](+) (bipy=2,2'-bipyridine) with dimethyl ether in comparison with dimethyl sulfide: an experimental/computational study.

scientific article published in April 2010

Iron(I)-induced demethanation of tert-butyl-substituted nitriles in the gas phase. A case of remote functionalization of carbon-carbon bonds

scientific article published on 01 August 1988

Isomer‐Selective Thermal Activation of Methane in the Gas Phase by [HMO]+ and [M(OH)]+ (M=Ti and V) ⬇️

scientific article published on April 25, 2013

Isotope-Sensitive Degenerate [1,3]-Hydrogen Migration versus Competitive Enol-Keto Tautomerization

scientific article published on 01 November 2009

Ligand and electronic-structure effects in metal-mediated gas-phase activation of methane: a cold approach to a hot problem

scientific article published on 05 October 2009

Ligand and substrate effects in gas-phase reactions of NiX(+)/RH couples (X=F, Cl, Br, I; R=CH3, C2H5, nC3H7, nC4H9).

scientific article

Ligand-Controlled CO2 Activation Mediated by Cationic Titanium Hydride Complexes, [LTiH](+) (L=Cp2 , O)

scientific article published on 04 May 2015

Mechanistic Aspects of the Holmium-Mediated, Reciprocal Hydrogen/Sulfur Exchange in the Gas Phase: C6 H5 CH3 +CH2 S→C6 H5 CHS+CH4.

scientific article published on 20 January 2016

Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions.

scientific article published on 12 August 2016

Mechanistic aspects and elementary steps of N-H bond activation of ammonia and C-N coupling induced by gas-phase ions: a combined experimental/computational exercise.

scientific article published on 05 December 2011

Mechanistic aspects of gas-phase hydrogen-atom transfer from methane to [CO](·+) and [SiO](·+) : why do they differ?

scientific article published on 27 March 2013

Mechanistic aspects of the gas-phase coupling of thioanisole and chlorobenzene to dibenzothiophene catalyzed by atomic Ho(+).

scientific article published on 13 March 2015

Mechanistic aspects of the gas-phase reactions of halobenzenes with bare lanthanide cations: a combined experimental/theoretical investigation

scientific article published on 29 December 2014

Mechanistic studies on the gas-phase dehydrogenation of alkanes at cyclometalated platinum complexes.

scientific article published on 20 September 2012

Metal-Dependent Strengthening and Weakening of M-H and M-C Bonds by an Oxo Ligand: Thermal Gas-Phase Activation of Methane by [OMH]+ and [MH]+ (M=Mo, Ti).

scientific article published on 26 May 2017

Metal-Free, Room-Temperature Oxygen-Atom Transfer in the N2 O/CO Redox Couple as Catalyzed by [Si2 Ox ].+ (x=2-5).

scientific article published on 16 June 2017

Metal-dependent alternative activation of O-H and C-H bonds of methanol: on the formation and structure of "bare" [M,C,H3,O]+ complexes (M = Fe, Co, Ni) in the gas phase.

scientific article published on 14 January 2010

N(2) activation by a hafnium complex: a DFT study on CO-assisted dinitrogen cleavage and functionalization.

scientific article published in November 2010

Neutral cumulene oxide CCCCO is accessible by one-electron oxidation of [CCCCO]-* in the gas phase

scientific article published on 04 February 2005

On the Activation of Methane and Carbon Dioxide by [HTaO](+) and [TaOH](+) in the Gas Phase: A Mechanistic Study.

scientific article published on 29 June 2016

On the Crucial Role of Isolated Electronic States in the Thermal Reaction of ReC+ with Dihydrogen

scientific article published on 17 March 2020

On the Electronic Origin of Remarkable Ligand Effects on the Reactivities of [NiL]+ Complexes (L=C6 H5 , C5 H4 N, CN) towards Methane.

scientific article published in September 2017

On the Mechanisms of Hydrogen-Atom Transfer from Water to the Heteronuclear Oxide Cluster [Ga2 Mg2 O5 ](.+) : Remarkable Electronic Structure Effects.

scientific article published on 14 August 2015

On the Origin of Reactivity Enhancement/Suppression upon Sequential Ligation: [Re(CO)x ]+ /CH4 (x=0-3) Couples.

scientific article

On the Origin of the Distinctly Different Reactivity of Ruthenium in [MO]+ /CH4 Systems (M=Fe, Ru, Os).

scientific article published on 8 March 2018

On the Origin of the Remarkably Variable Reactivities of [AlCeOx ]+ (x=2-4) towards Methane as a Function of Oxygen Content.

scientific article published on 2 December 2016

On the Remarkable Role of the Nitrogen Ligand in the Gas-Phase Redox Reaction of the N2 O/CO Couple Catalyzed by [NbN]

scientific article published on 04 February 2019

On the Structural Dichotomy of Cationic, Anionic, and Neutral FeS(2)

scientific article published on 01 July 1999

On the mechanisms of degenerate ligand exchange in [M(CH(3))](+)/CH(4) Couples (M=Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) as explored by mass spectrometric and computational studies: oxidative addition/reductive elimination versus sigma-complex-assisted

scientific article published in January 2008

On the origin of the surprisingly sluggish redox reaction of the N2O/CO couple mediated by [Y2O2]+˙ and [YAlO2]+˙ cluster ions in the gas phase

scientific article (publication date: 21 January 2013)

On the role of the electronic structure of the heteronuclear oxide cluster [Ga2Mg2O5 ](.+) in the thermal activation of methane and ethane: an unusual doping effect.

scientific article published on 27 February 2015

Oriented external electric fields as mimics for probing the role of metal ions and ligands in the thermal gas-phase activation of methane

scientific article published on 10 September 2018

Penetrating the Elusive Mechanism of Copper-Mediated Fluoromethylation in the Presence of Oxygen through the Gas-Phase Reactivity of Well-Defined [LCuO](+) Complexes with Fluoromethanes (CH(4-n)Fn, n = 1-3).

scientific article published on 9 February 2016

Platinum dioxide cation: easy to generate experimentally but difficult to describe theoretically.

scientific article published in January 2001

Potential role of methyl-radical adducts with carbon dioxide in the Martian atmosphere.

scientific article published in January 2003

Preparation of N(SeCl)2+X–(X = SbCl6or FeCl4), F3CCSeNSeCCF3+SbCl6–, F3CCSeNSeCCF3, F3CCSeNSeCCF3and F3CCSeSeC(CF3)C(CF3)SeSeCCF3. Electron diffraction study of F3CCSeSeCCF3and crystal structure of the eight-membered heterocycle F3CCSeSeC(CF3)C(C

Probing cooperative effects in bimetallic clusters: indications of C-N coupling of CH4 and NH3 mediated by the cluster ion PtAu+ in the gas phase.

scientific article published in April 2003

Pronounced cluster-size effects: gas-phase reactivity of bare vanadium cluster cations V(n)+ (n = 1-7) toward methanol.

scientific article published in May 2009

Pronounced ligand effects and the role of formal oxidation states in the nickel-mediated thermal activation of methane.

scientific article published in January 2007

Reactions of Group 8, 9, and 10 monocations (Fe+, Co+, Ni+, Ru+, Rh+, Pd+, Os+, Ir+, Pt+) with phosphane in the gas phase.

scientific article published in May 2002

Reactivity of the CHBr2+ dication toward molecular hydrogen

scientific article published on 01 May 2006

Reassessment of the Mechanisms of Thermal C-H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals

scientific article published on 17 June 2019

Relativistic effects in gas-phase ion chemistry: an experimentalist's view.

scientific article published in September 2003

Revision of the second ionization energy of toluene.

scientific article published in March 2005

Room-temperature C-H bond activation of methane by bare [P(4)O(10)](*+).

scientific article published in January 2009

Scholarly Integrity

scientific article published on 22 March 2017

Selective C-O Coupling Hidden in the Thermal Reaction of [Al2 CuO5 ]+ with Methane

scientific article published on 06 September 2018

Selective Nitrogen-Atom Transfer Driven by a Highly Efficient Intersystem Crossing in the [CeON]+/CH₄ System

scientific article published on 05 November 2018

Sequential Gas-Phase Activation of Carbon Dioxide and Methane by [Re(CO)2]+: The Sequence of Events Matters!

scientific article published on 12 April 2017

Single and double N-H bond activation of ammonia by [Al2O3 ]˙+: room temperature formation of the aminyl radical and nitrene.

scientific article published on 15 May 2013

Spin-Selective Thermal Activation of Methane by Closed-Shell [TaO3 ](.).

scientific article published on 9 May 2016

Spin-Selective, Competitive Hydrogen-Atom Transfer versus CH2 O-Generation from the CH4 /[ReO4 ]+ Couple at Ambient Conditions

scientific article published on 2 November 2017

Stability of gaseous thallium monofluoride as TlF0, TlF+, and TlF2+.

scientific article published in July 2005

Striking Doping Effects on Thermal Methane Activation Mediated by the Heteronuclear Metal Oxides [XAlO4 ].+ (X=V, Nb, and Ta).

scientific article published on 24 November 2016

Structural aspects of long-lived C7H8(2+) dications generated by the electron ionization of toluene.

scientific article published in March 2006

Structure and chemistry of the heteronuclear oxo-cluster [VPO4]•+: a model system for the gas-phase oxidation of small hydrocarbons.

scientific article published on 22 February 2013

Structure of the oxygen-rich cluster cation Al2O7+ and its reactivity toward methane and water

scientific article published on 30 September 2011

Ta-mediated ammonia synthesis from N and H at ambient temperature

article published in the Proceedings of the National Academy of Sciences of the United States of America

The "missing link": the gas-phase generation of platinum-methylidyne clusters Pt(n)CH+ (n=1, 2) and their reactions with hydrocarbons and ammonia

scientific article published on 07 September 2011

The CeO(2)(+) Cation: Gas-Phase Reactivity and Electronic Structure.

scientific article

The Electric Field as a "Smart" Ligand in Controlling the Thermal Activation of Methane and Molecular Hydrogen

scientific article published on 13 July 2018

The Origin of the Efficient, Thermal Chemisorption of Methane by the Heteronuclear Metal-Oxide Cluster [Al2 TaO5 ]().

scientific article published on 24 October 2016

The SiF3(2+) dication: chemistry counts!

scientific article published on 01 October 2009

The Unique Gas-Phase Chemistry of the [AuO](+) /CH4 Couple: Selective Oxygen-Atom Transfer to, Rather than Hydrogen-Atom Abstraction from, Methane.

scientific article published on 8 July 2016

The formation of neutral CCCO2H and HCCCO2 molecules from anionic precursors in the gas phase: a joint experimental and theoretical study

scientific article published on 01 January 2005

The scientific bridge: fifty years of Germany-Israel diplomatic relations

scientific article published on 2 September 2015

The thiazole ylide: a frequently invoked intermediate is a stable species in the gas phase

scientific article

Thermal Activation of Ammonia by Transition-Metal Hydroxide Cations

scientific article published on 24 July 2013

Thermal Activation of Ammonia by Transition-Metal Hydroxide Cations

scientific article published on 19 June 2013

Thermal Activation of CH4 and H2 as Mediated by the Ruthenium Oxide Cluster Ions [RuOx ]+ (x=1-3): On the Influence of Oxidation States

scientific article published on 21 February 2019

Thermal Activation of Methane by [HfO](.+) and [XHfO](+) (X=F, Cl, Br, I) and the Origin of a Remarkable Ligand Effect

scientific article published on 18 April 2016

Thermal Dehydrogenation of Methane by [ReN]().

scientific article published on 11 October 2016

Thermal Methane Activation by [Si2 O5 ](.+) and [Si2 O5 H2 ](.+) : Reactivity Enhancement by Hydrogenation

scientific article published on 21 September 2016

Thermal Methane Activation by the Metal-Free Cluster Cation [Si2 O4 ].

scientific article published on 12 December 2016

Thermal NH Bond Activation on Anionic and Cationic Platinum Clusters: Non-Predetermined Reaction Pathways Indicate Transitions to a Bulk Surface Reactivity

article

Thermal O-H Bond Activation of Water As Mediated by Heteronuclear [Al2Mg2O5]•+: Evidence for Oxygen-Atom Scrambling

scientific article published on 02 July 2018

Thermal activation of N-H bonds by transition-metal oxide cations: does a hierarchy exist in the first row?

scientific article published on 2 March 2011

Thermal activation of methane and ethene by bare MO·+ (M=Ge, Sn, and Pb): a combined theoretical/experimental study

scientific article published on 04 August 2011

Thermal activation of methane by group 10 metal hydrides MH+: the same and not the same.

scientific article published in January 2007

Thermal activation of methane by tetranuclear [V4O10]+

scientific article published on 01 July 2006

Thermal ammonia activation by cationic transition-metal hydrides of the first row--small but mighty

scientific article published on 7 March 2012

Thermal ethane activation by bare [V₂O₅]⁺ and [Nb₂O₅]⁺ cluster cations: on the origin of their different reactivities.

scientific article published on 23 April 2014

Thermal homo- and heterolytic C-H bond activation of ethane and propane by bare [P(4)O(10)](*+): regioselectivities, kinetic isotope effects, and density functional theory based potential-energy surfaces

scientific article published in October 2009

Thermal hydrogen-atom transfer from methane: the role of radicals and spin states in oxo-cluster chemistry

scientific article published on 16 March 2012

Thermal methane activation by a binary V-Nb transition-metal oxide cluster cation: a further example for the crucial role of oxygen-centered radicals

scientific article published on 9 August 2013

Thermal reactions of YAlO3+˙ with methane: increasing the reactivity of Y2O3+˙ and the selectivity of Al2O3+˙ by doping.

scientific article published on 4 May 2012

Transfer Hydrogenation and Deuteration of Buckminsterfullerene C60 by 9,10-Dihydroanthracene and 9,9′,10,10′[D4]Dihydroanthracene

scholarly article by Christoph Rüchardt et al published April 1993 in Angewandte Chemie International Edition

Tuning the Reactivities of the Heteronuclear [Aln V3-n O7-n ]+ (n=1, 2) Cluster Oxides towards Methane by Varying the Composition of the Metal Centers

scientific article published on 07 February 2019

Tuning the oxidative power of free iron-sulfur clusters.

scientific article published on 7 March 2017

Two-state reactivity as a new concept in organometallic chemistry

scientific article published on 01 March 2000

Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory.

scientific article

Unexpected gas-phase reactivity of the CH3OH adduct of Michler's hydrol blue: proton-shuttle catalysis and stepwise radical expulsions.

scientific article published on 25 August 2007

Unravelling Mechanistic Aspects of the Gas-Phase Ethanol Conversion: An Experimental and Computational Study on the Thermal Reactions of MO2 (+) (M=Mo, W) with Ethanol.

scientific article published on 2 February 2016

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