Publications associées à What governs nitrogen configuration in substituted aminophosphines?

Publications associées (34)

Superior Adhesion of Monolayer Amorphous Carbon to Copper

Oleg Yazyev, Ruslan Yamaletdinov, Hanning Zhang

The single‐atom thickness of graphene holds great potential for device scaling, but its effectiveness as a thin metal‐ion diffusion barrier in microelectronics and a corrosion barrier for plasmonic devices is compromised by weak van der Waals interactions ...

Wiley2025

In-Situ FTIR and Laser Induced Fluorescence RONS Characterization of Atmospheric Pressure Nanosecond-Pulsed Surface DBD Plasma for Indirect Treatments of E. Coli

Ivo Furno, Fabio Avino, Rita Agus, Lorenzo Ibba

We study the bactericidal efficacy of surface dielectric barrier discharge low-temperature plasma treatments, powered by nanosecond high voltage pulses. We achieve similar to 4-log reduction in Escherichia coli population, after 10 min treatments, at a dis ...

Springer2024

Automated prediction of ground state spin for transition metal complexes

Anne-Clémence Corminboeuf, Rubén Laplaza Solanas, Yuri Cho

Exploiting crystallographic data repositories for large-scale quantum chemical computations requires the rapid and accurate extraction of the molecular structure, charge and spin from the crystallographic information file. Here, we develop a general approa ...

2024

∇2DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials

Egor Rumiantsev

Methods of computational quantum chemistry provide accurate approximations of molecular properties crucial for computer-aided drug discovery and other areas of chemical science. However, high computational complexity limits the scalability of their applica ...

Neural information processing systems foundation2024

A recipe for cracking the quantum scaling limit with machine learned electron densities

Mario Geiger

A long-standing goal of science is to accurately simulate large molecular systems using quantum mechanics. The poor scaling of current quantum chemistry algorithms on classical computers, however, imposes an effective limit of about a few dozen atoms on tr ...

IOP Publishing Ltd2023

Nitrogen Fixation and Hydrogen Evolution by Sterically Encumbered Mo-Nitrogenase

Wenyu Gu

The substrate-reducing proteins of all nitrogenases (MoFe, VFe, and FeFe) are organized as alpha 2ss2(gamma 2) multimers with two functional halves. While their dimeric organization could afford improved structural stability of nitrogenases in vivo, previo ...

AMER CHEMICAL SOC2023

Exfoliated 2D Layered and Nonlayered Metal Phosphorous Trichalcogenides Nanosheets as Promising Electrocatalysts for CO2 Reduction

Michael Graetzel, Dan Ren, Hong Zhang, Yelin Hu

Two-dimensional (2D) materials catalysts provide an atomic-scale view on a fascinating arena for understanding the mechanism of electrocatalytic carbon dioxide reduction (CO2 ECR). Here, we successfully exfoliated both layered and nonlayered ultra-thin met ...

Wiley-VCH Verlag GmbH2023

Search for the Higgs boson decay to a pair of electrons in proton-proton collisions at √s=13 TeV

Jian Wang, Matthias Finger, Qian Wang, Yiming Li, João Miguel das Neves Duarte, Matthias Wolf, Varun Sharma, Yi Zhang, Tian Cheng, Yixing Chen, Alexis Kalogeropoulos, Ioannis Papadopoulos, Hua Zhang, Siyuan Wang, Jessica Prisciandaro, Xin Chen, Michele Bianco, Sebastiana Gianì, Sun Hee Kim, Davide Di Croce, Arvind Shah, Jian Zhao, Rakesh Chawla, Jan Steggemann, Konstantin Androsov, Anna Mascellani, Federica Legger, Matteo Galli, Gabriele Grosso

A search is presented for the Higgs boson decay to a pair of electrons (e(+)e(-)) in proton-proton collisions at root s= 13 TeV. The data set was collected with the CMS experiment at the LHC between 2016 and 2018, corresponding to an integrated luminosity ...

Elsevier2023

Mechanistic Insight into Supramolecular Polymerization in Water Tunable by Molecular Geometry

Lukas Pfeifer

Supramolecular self-assembly in water based on non-covalent bonding is attracting major attention due to the potential of hydrogels and aqueous polymers in biomedical applications. Although supramolecular polymerization in organic solvents is well establis ...

CHINESE CHEMICAL SOC2022

Ring-Opening Reactions of Aminocyclopropanes and Aminocyclobutanes

Mingming Wang

Nitrogen-containing compounds are an important class of molecules in medicinal chemistry, chemical biology, biochemistry, material sciences or environmental sciences. Organic nitrogen occurs in many forms, ranging from small building blocks such as urea, a ...

EPFL2022

Monomeric Fe Species in Square Planar Geometry Active for Low Temperature NH3-SCR of NO

Oliver Kröcher, Davide Ferri

Monomeric Fe species in zeolites are considered to be the active sites for the low temperature activity toward ammonia-assisted selective catalytic reduction of nitrogen oxides (NH3-SCR) in exhaust gases. Herein, we report on a preparation method to synthe ...

AMER CHEMICAL SOC2022

Reactions of amines with ozone and chlorine: Two novel oxidative methods to evaluate the N-DBP formation potential from dissolved organic nitrogen

Karim-Alexandre Essaied, Urs von Gunten

The composition of oxidant-reactive dissolved organic nitrogen (DON) is poorly characterized, although its ozonation is likely to form a great variety of disinfection by-products containing a nitrogen-oxygen bond (NDBPs). In this study, two chemical oxidat ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Method and system for producing a carbonate-containing species-rich, nitrogen-containing species-free solution

Lyesse Laloui, Dimitrios Terzis

A method for producing a carbonate-containing species-rich, nitrogen-containing species-free solution from a urea-rich solution is proposed. The method comprising the steps of: providing a first reservoir comprising a first mixture including urea and a cat ...

2021

Nighttime chemistry of biomass burning emissions in urban areas: A dual mobile chamber study

Athanasios Nenes

Residential biomass burning for heating purposes is an important source of air pollutants during winter. Here we test the hypothesis that significant secondary organic aerosol production can take place even during winter nights through oxidation of the emi ...

Copernicus GmbH2021

Laser photo-detachment combined with Langmuir probe in magnetized electronegative plasma: how the probe size affects the plasma dynamic?

Ivo Furno, Riccardo Agnello

Laser photo-detachment combined with a Langmuir probe (LP) is used to diagnose negative ion properties in electronegative plasmas. The technique relies on the combined use of a laser pulse and an LP. The laser pulse converts negative ions into electron-ato ...

2021

Heat stress reduces the contribution of diazotrophs to coral holobiont nitrogen cycling

Anders Meibom, Nils Rädecker, Claudia Isabella Pogoreutz, Gabriela Hannah Holligan Perna

Efficient nutrient cycling in the coral-algal symbiosis requires constant but limited nitrogen availability. Coral-associated diazotrophs, i.e., prokaryotes capable of fixing dinitrogen, may thus support productivity in a stable coral-algal symbiosis but c ...

2022

Long-lived Photo-Charges in 1D Helical Organic Semiconductor Nanostructures

Regina Judith Hafner

The formation of photoexcited states in organic semiconductors, their separation into long-lived or stable charge carriers, as well as the charge transport are critical processes relevant to several important research fields and emerging technologies. Whil ...

EPFL2018

Isolation and characterization of diazoolefins

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Zhaowen Dong, Paul Varava

Diazoolefins tend to be highly reactive compounds that rapidly lose dinitrogen. So far, most experimental evidence for diazoolefins is indirect, via trapping experiments. Here we show that diazoolefins are observed to form in reactions of N-heterocyclic ol ...

2021

Pressure drop prediction in annular two-phase flow in macroscale tubes and channels

John Richard Thome, Andrea Cioncolini

A new prediction method for the frictional pressure drop in annular two-phase flow is presented. This new prediction method focuses on the aerodynamic interaction between the liquid film and the gas core in annular flows, and explicitly takes into account ...

Pergamon-Elsevier Science Ltd2017

Revealing the Mechanism of Doping of spiro-MeOTAD via Zn Complexation in the Absence of Oxygen and Light

Ulf Anders Hagfeldt, Bowen Yang, Hui-Seon Kim, Jiajia Suo, Yasemin Saygili

In this study, a new mechanism for doping of spiro-MeOTAD by Zn(TFSI)(2) is revealed, which is completely different from the mechanism induced by LiTFSI. The oxidation of spiro-MeOTAD is facilitated by complexation between the zinc cation and tert-butylpyr ...

AMER CHEMICAL SOC2020