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List of works by Mark A Iron

"Long-range" metal-ligand cooperation in H2 activation and ammonia-promoted hydride transfer with a ruthenium-acridine pincer complex

scientific article published on October 2010

A computational foray into the formation and reactivity of metallabenzenes

scientific article published in September 2004

A monolayer-based setup for optical amplification

scientific article published on 01 January 2010

A new mode of activation of CO2 by metal-ligand cooperation with reversible C-C and M-O bond formation at ambient temperature

scientific article published on 26 June 2012

A novel liquid organic hydrogen carrier system based on catalytic peptide formation and hydrogenation

scientific article

Activation of nitriles by metal ligand cooperation. Reversible formation of ketimido- and enamido-rhenium PNP pincer complexes and relevance to catalytic design

scientific article

Alkali and alkaline earth metal compounds: core—valence basis sets and importance of subvalence correlation

scholarly article by MARK A. IRON published in May 2003

Amplifying undetectable NMR signals to study host-guest interactions and exchange

scientific article published on 5 October 2016

Authorizing multiple chemical passwords by a combinatorial molecular keypad lock

scientific article

Benchmark study of DFT functionals for late-transition-metal reactions

scientific article published in January 2006

Catalytic reduction of acetone by [(bpy)Rh]+: a theoretical mechanistic investigation and insight into cooperativity effects in this system.

scientific article

Cationic, neutral, and anionic PNP Pd(II) and Pt(II) complexes: dearomatization by deprotonation and double-deprotonation of pincer systems

scientific article

Competitive C-I versus C-CN reductive elimination from a Rh(III) complex. Selectivity is controlled by the solvent

scientific article

Consecutive thermal H2 and light-induced O2 evolution from water promoted by a metal complex.

scientific article

Correction to "Evaluating Transition Metal Barrier Heights with the Latest Density Functional Theory Exchange-Correlation Functionals: The MOBH35 Benchmark Database"

scientific article published on 15 July 2019

Cost-effective density functional theory (DFT) calculations of equilibrium isotopic fractionation in large organic molecules

scientific article published on 25 July 2019

Cycloaddition reactions of metalloaromatic complexes of iridium and rhodium: a mechanistic DFT investigation.

scientific article published in September 2003

Density Functional Theory in Transition-Metal Chemistry: Relative Energies of Low-Lying States of Iron Compounds and the Effect of Spatial Symmetry Breaking

scientific article published on 01 February 2008

Design concept for α-hydrogen-substituted nitroxides

scientific article published on 06 February 2015

Designing surface-confined coordination oligomers

scientific article published on 01 June 2010

Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study

scientific article published on 07 January 2019

Electrochemical characteristics of a self-propagating molecular-based assembly

scientific article published on 20 January 2010

Enolonium Species-Umpoled Enolates

scientific article published on 27 January 2017

Evaluating Transition Metal Barrier Heights with the Latest Density Functional Theory Exchange-Correlation Functionals: The MOBH35 Benchmark Database

scientific article published on 22 April 2019

Evaluation of the Factors Impacting the Accuracy of 13C NMR Chemical Shift Predictions using Density Functional Theory-The Advantage of Long-Range Corrected Functionals

scientific article published on 10 October 2017

Iron borohydride pincer complexes for the efficient hydrogenation of ketones under mild, base-free conditions: synthesis and mechanistic insight

scientific article published on 24 April 2012

Iron dicarbonyl complexes featuring bipyridine-based PNN pincer ligands with short interpyridine C-C bond lengths: innocent or non-innocent ligand?

scientific article published on 3 March 2014

Long-range through-bond heteronuclear communication in platinum complexes

scientific article

Manganese Catalyzed Hydrogenation of Carbamates and Urea Derivatives

scientific article published on 07 August 2019

Mechanism of the Copper/TEMPO-Catalyzed Aerobic Oxidation of Alcohols

scientific article

Mechanistic Aspects of Aryl-Halide Oxidative Addition, Coordination Chemistry, and Ring-Walking by Palladium.

scientific article published on 18 September 2015

Mechanistic aspects of acetone addition to metalloaromatic complexes of iridium: a DFT investigation.

scientific article

Medication detection by a combinatorial fluorescent molecular sensor

scientific article published on 12 October 2012

Metal-ligand cooperation in the trans addition of dihydrogen to a pincer Ir(I) complex: a DFT study

scientific article published on 28 September 2009

Metallabenzene versus Cp complex formation: a DFT investigation.

scientific article published in October 2003

Molecular structure-function relations of the optical properties and dimensions of gold nanoparticle assemblies

scientific article published on 01 February 2010

N-H activation of amines and ammonia by Ru via metal-ligand cooperation

scientific article published on 01 June 2010

NLO Properties of Metallabenzene-Based Chromophores: A Time-Dependent Density Functional Study

scientific article published on 01 June 2005

Nitrenium ions as ligands for transition metals

scientific article published on 19 June 2011

On the Innocence of Bipyridine Ligands: How Well Do DFT Functionals Fare for These Challenging Spin Systems?

scientific article published on 18 December 2013

On the unexpected stability of the dianion of perylene diimide in water--a computational study

scientific article published on 21 February 2011

Overcoming artificial broadening in Gd(3+)-Gd(3+) distance distributions arising from dipolar pseudo-secular terms in DEER experiments.

scientific article

Photoinduced singlet charge transfer in a ruthenium(II) perylene-3,4:9,10-bis(dicarboximide) complex

scientific article published on 20 May 2011

Pi-accepting-pincer rhodium complexes: an unusual coordination mode of PCP-type systems

scientific article published in April 2005

Platinum complexes of cationic ligands for the aerobic oxidation of "inert" perfluoro-substituted alcohols

scientific article published in February 2013

Platinum stilbazoles: ring-walking coupled with aryl-halide bond activation.

scientific article published in July 2005

Proton walk in the aqueous platinum complex [TpPtMeCO] via a sticky sigma-methane ligand

scientific article

Ru(0) and Ru(II) nitrosyl pincer complexes: structure, reactivity, and catalytic activity

scientific article published on 18 September 2013

Stable aromatic dianion in water

scientific article published on 03 July 2008

Stepwise assembly of coordination-based metal-organic networks

scientific article published on 01 October 2010

Synergism in multicomponent self-propagating molecular assemblies

scientific article published on 03 December 2010

Synthesis and stability of cyclic α-hydrogen nitroxides

scientific article published on 01 November 2015

Synthesis, structures, and dearomatization by deprotonation of iron complexes featuring bipyridine-based PNN pincer ligands

scientific article published on 31 July 2013

The cationic dye basic orange 21 (BO21) as a potential fluorescent sensor

scientific article published on 01 October 2018

Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding

scientific article published on 01 May 2008

TpPtMe(H)2: Why Is There H/D Scrambling of the Methyl Group but Not Methane Loss?

scientific article published on 01 June 2002

Ultraslow isomerization in photoexcited gas-phase carbon cluster [Formula: see text].

scientific article published on 2 March 2018

Valence-Bond Order (VBO): A New Approach to Modeling Reactive Potential Energy Surfaces for Complex Systems, Materials, and Nanoparticles

scientific article

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