In recent years, external electric fields (EEFs) have captured some spotlight as novel
effectors of chemical change. EEFs directly impact the structure of molecular systems. For …

The power of oriented electrostatic fields (ESFs) to influence chemical bonding and reactivity
is a phenomenon of rapidly growing interest. The presence of strong ESFs has recently …

Electric fields have been proposed as having a distinct ability to catalyze chemical reactions
through the stabilization of polar or ionic intermediate transition states. Although field …

Judiciously applied oriented external electric fields (OEEFs) exert catalytic effects on the
kinetics and improve the thermodynamics of chemical reactions. Herein, we examine the …

Urea and barbiturates are bioactive compounds with diverse applications, ranging from
pharmaceuticals to industrial processes. Urea functionality and barbiturates are present in …

Abstract The Zn─ Sb binary system contains two high‐performing thermoelectric materials,
namely the ordered ZnSb and the disordered Zn13Sb10. Both systems exhibit low thermal …

We present here a versatile computational code named “elecTric fIeld generaTion And
maNipulation (TITAN),” capable of generating various types of external electric fields, as well …

Oriented external electric fields (EEFs) act as catalysts that can induce selectivity in chemical
reactions. The responses of the Diels–Alder (DA) reaction between butadiene and ethylene …

In the oriented external electric-field-driven catalysis, the reaction rates and the selectivity of
chemical reactions can be tuned at will. The activation barriers of chemical reactions within …

We study the single-molecule transport properties of small bandgap diketopyrrolopyrrole
oligomers (DPP n, n= 1–4) with lengths varying from 1 to 5 nm. At a low bias voltage, the …