Oriented electric fields as future smart reagents in chemistry

To rebound or dissociate? This is the mechanistic question in C–H hydroxylation by heme and nonheme metal–oxo complexes

(2016) Kyung-Bin Cho et al.   CHEMICAL SOCIETY REVIEWS

TEMPO Monolayers on Si(100) Electrodes: Electrostatic Effects by the Electrolyte and Semiconductor Space-Charge on the Electroactivity of a Persistent Radical

(2016) Long Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrostatic catalysis of a Diels–Alder reaction

(2016) Albert C. Aragonès et al.   NATURE

A theoretical study of the activation of nitromethane under applied electric fields

(2016) Yuan Wei et al.   RSC Advances

Measuring Electric Fields and Noncovalent Interactions Using the Vibrational Stark Effect

(2015) Stephen D. Fried et al.   ACCOUNTS OF CHEMICAL RESEARCH

Single-Molecule Spin Switch Based on Voltage-Triggered Distortion of the Coordination Sphere

(2015) Gero D. Harzmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Spintronics and Chirality: Spin Selectivity in Electron Transport Through Chiral Molecules

(2015) Ron Naaman et al.   Annual Review of Physical Chemistry

A new ATR-IR microreactor to study electric field-driven processes

(2015) A. Susarrey-Arce et al.   SENSORS AND ACTUATORS B-CHEMICAL

Experimental demonstration of pH-dependent electrostatic catalysis of radical reactions

(2015) Marta Klinska et al.   Chemical Science

Probing the Electrostatics of Active Site Microenvironments along the Catalytic Cycle for Escherichia coli Dihydrofolate Reductase

(2014) C. Tony Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multi-Responsive Photo- and Chemo-Electrical Single-Molecule Switches

(2014) Nadim Darwish et al.   NANO LETTERS

Miller experiments in atomistic computer simulations

(2014) A. M. Saitta et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Extreme electric fields power catalysis in the active site of ketosteroid isomerase

(2014) Stephen D. Fried et al.   SCIENCE

The chemical bond in external electric fields: Energies, geometries, and vibrational Stark shifts of diatomic molecules

(2013) Shahin Sowlati-Hashjin et al.   JOURNAL OF CHEMICAL PHYSICS

Unprecedented External Electric Field Effects on S-Nitrosothiols: Possible Mechanism of Biological Regulation?

(2013) Qadir K. Timerghazin et al.   Journal of Physical Chemistry Letters

Interfacial Electric Field Effects on a Carbene Reaction Catalyzed by Rh Porphyrins

(2013) Craig F. Gorin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Origin and Scope of Long-Range Stabilizing Interactions and Associated SOMO–HOMO Conversion in Distonic Radical Anions

(2013) Ganna Gryn’ova et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Switching radical stability by pH-induced orbital conversion

(2013) Ganna Gryn'ova et al.   Nature Chemistry

How DNA is damaged by external electric fields: selective mutation vs. random degradation

(2013) José Pedro Cerón-Carrasco et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of External Electric Field on H-Bonding and π-Stacking Interactions in Guanine Aggregates

(2012) Akkarapattiakal K. Jissy et al.   CHEMPHYSCHEM

A Single-Site Mutation (F429H) Converts the Enzyme CYP 2B4 into a Heme Oxygenase: A QM/MM Study

(2012) Dandamudi Usharani et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The molecular level modification of surfaces: from self-assembled monolayers to complex molecular assemblies

(2011) J. Justin Gooding et al.   CHEMICAL SOCIETY REVIEWS

Trends in Aromatic Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes: A Valence Bond Modeling

(2011) Sason Shaik et al.   Journal of Chemical Theory and Computation

Electric Field-Driven Acid−Base Chemistry: Proton Transfer from Acid (HCl) to Base (NH3/H2O)

(2011) Zhong-Jun Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An Electric Field–Induced Change in the Selectivity of a Metal Oxide–Catalyzed Epoxide Rearrangement

(2011) Craig F. Gorin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effects of external electric fields on double proton transfer kinetics in the formic acid dimer

(2011) Alya A. Arabi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Valence Bond Way: Reactivity Patterns of Cytochrome P450 Enzymes and Synthetic Analogs

(2010) Sason Shaik et al.   ACCOUNTS OF CHEMICAL RESEARCH

Electric field induced activation of H2—Can DFT do the job?

(2010) Birgitta Schirmer et al.   CHEMICAL COMMUNICATIONS

Oriented Electric Fields Accelerate Diels–Alder Reactions and Control theendo/exoSelectivity

(2010) Rinat Meir et al.   CHEMPHYSCHEM

External Electric Field Can Control the Catalytic Cycle of Cytochrome P450cam: A QM/MM Study

(2010) Wenzhen Lai et al.   Journal of Physical Chemistry Letters

Exchange-enhanced reactivity in bond activation by metal–oxo enzymes and synthetic reagents

(2010) Sason Shaik et al.   Nature Chemistry

Molecular Basis for the Electric Field Modulation of CytochromecStructure and Function

(2009) Pablo M. De Biase et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electric-Field Control of the Tautomerization and Metal Ion Binding Reactivity of 8-Hydroxyquinoline Immobilized to an Electrode Surface

(2008) Vanessa Oklejas et al.   ANALYTICAL CHEMISTRY

Compound I in Heme Thiolate Enzymes: A Comparative QM/MM Study†

(2008) Kyung-Bin Cho et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effect of External Electric Fields on the C−H Bond Activation Reactivity of Nonheme Iron−Oxo Reagents

(2008) Hajime Hirao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY