Chemistry of the Au–Thiol Interface through the Lens of Single-Molecule Flicker Noise Measurements
Chemistry of the Au–S interface at the nanoscale is one of the most complex systems to
study, as the nature and strength of the Au–S bond change under different experimental …
study, as the nature and strength of the Au–S bond change under different experimental …
[HTML][HTML] An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system
The use of oriented external electric fields (OEEFs) to promote and control chemical
reactivity has motivated many theoretical and computational studies in the last decade to …
reactivity has motivated many theoretical and computational studies in the last decade to …
Large magnetocaloric effect in Gd2Si2O7 and plateau-like magnetic entropy change in Dy2Si2O7
L Wang, Z Ouyang, Z Li, J Cao, Z Xia - Journal of Alloys and Compounds, 2023 - Elsevier
We report the magnetic properties and magnetocaloric effects (MCE) of R 2 Si 2 O 7 (R= Gd,
Dy) with different crystal structures. For the orthorhombic Gd 2 Si 2 O 7 (Type E), no …
Dy) with different crystal structures. For the orthorhombic Gd 2 Si 2 O 7 (Type E), no …
Making the Most of Nothing: One-Class Classification for Single-Molecule Transport Studies
W Bro-Jørgensen, JM Hamill, G Mezei… - ACS Nanoscience …, 2024 - ACS Publications
Single-molecule experiments offer a unique means to probe molecular properties of
individual molecules–yet they rest upon the successful control of background noise and …
individual molecules–yet they rest upon the successful control of background noise and …
Optimal oriented external electric fields to trigger a barrierless oxaphosphetane ring opening step of the Wittig reaction
The Wittig reaction is one of the most important processes in organic chemistry for the
asymmetric synthesis of olefinic compounds. In view of the increasingly acknowledged …
asymmetric synthesis of olefinic compounds. In view of the increasingly acknowledged …
The Effect of Electric Field on the Frontier Orbitals of Organic Small Molecules: DFT Studies of Triphenylamine Derivatives
B Parks, L Wang - 2024 - chemrxiv.org
The effect of strong electric fields on four triphenylamine derivatives was investigated. Using
the optimized structures performed via B3LYP/6-31+ G (d, p) level of theory in vacuo, single …
the optimized structures performed via B3LYP/6-31+ G (d, p) level of theory in vacuo, single …
Implementation of a fast method for the evaluation of the effect of external electric fields on catalysis
G Pey Costa - 2023 - dugi-doc.udg.edu
The concentration of CO2 has over the past century increased exponentially. The core of the
issue lies in the high efficiency of CO2 to absorb and remit IR radiation back to Earth's …
issue lies in the high efficiency of CO2 to absorb and remit IR radiation back to Earth's …