Concept

Hydrogénoïde

Publications associées (94)

New refinement of the crystal structure of Zn(NH3)2Cl2 at 100 K

The crystal structure of [ZnCl2(NH3)2], diamminedichloridozinc, was re-investigated at low temperature, revealing the positions of the hydrogen atoms and thus a deeper insight into the hydrogen-bonding scheme in the crystal packing. In comparison with pr ...

2019

New refinement of the crystal structure of Zn(NH3)(2)Cl-2 at 100 K

Arnaud Magrez, Trpimir Ivsic

The crystal structure of [ZnCl2(NH3)(2)], diamminedichloridozinc, was reinvestigated at low temperature, revealing the positions of the hydrogen atoms and thus a deeper insight into the hydrogen-bonding scheme in the crystal packing. In comparison with pre ...

2019

Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy

Benjamin André René Meyer

The coupling of the crystallographic refinement technique Hirshfeld atom refinement (HAR) with the recently constructed libraries of extremely localized molecular orbitals (ELMOs) gives rise to the new quantum-crystallographic method HAR-ELMO. This method ...

AMER CHEMICAL SOC2019

Oxidative cleavage of -O-4 bonds in lignin model compounds with a single-atom Co catalyst

Paul Joseph Dyson, Xile Hu, Zhaofu Fei, Antoine Philippe Van Muyden, Xiang Li, Lichen Bai, Zhangjun Huang, Xinjiang Cui, Sijie Liu

Single-atom catalysts are emerging as primary catalysts for many reactions due to their 100% utilization of active metal centers leading to high catalytic efficiencies. Herein, we report the use of a single-atom Co catalyst for the oxidative cleavage of th ...

2019

Universal noise in continuous transport measurements of interacting fermions

Jean-Philippe Brantut

We propose and analyze continuous measurements of atom number and atomic currents using dispersive probing in an optical cavity. For an atom-number measurement in a closed system, we relate both the detection noise and the heating rate due to measurement b ...

AMER PHYSICAL SOC2018

Optical properties of size selected neutral Ag clusters: electronic shell structures and the surface plasmon resonance

Harald Brune, Wolfgang Harbich, Chongqi Yu

We present optical absorption spectra from the ultraviolet to the visible for size selected neutral Ag-n clusters (n = 5-120) embedded in solid Ne. We compare the spectra to time-dependent density functional calculations (TDDFT) that address the influence ...

ROYAL SOC CHEMISTRY2018

Giant multiphoton absorption for THz resonances in silicon hydrogenic donors

The absorption of multiple photons when there is no resonant intermediate state is a well-known nonlinear process in atomic vapours, dyes and semiconductors. The N-photon absorption (NPA) rate for donors in semiconductors scales proportionally from hydroge ...

NATURE PUBLISHING GROUP2018

In silico tracing of the fate of single carbon atoms in different physiological states of E. coli

Jasmin Maria Hafner, Noushin Hadadi, Beatriz Lopes Pinto Basto Carreira

Many applications of systems biology such as the simulation of isotope labeling experiments and pathway inference in metabolic engineering rely on atom-level representation of metabolism. Because of its challenging complexity and the difficulty of obtainin ...

2018

Softening and hardening of yield stress by hydrogen–solute interactions

William Curtin, Binglun Yin, Ali Tehranchi

Hydrogen atoms have a wide variety of effects on the mechanical performance of metals, and the underlying mechanisms associated with effects on plastic flow and embrittlement remain to be discovered or validated. Here, the reduction in the plastic flow str ...

Taylor & Francis2017

Antihydrogen accumulation for fundamental symmetry tests

Shirit Cohen

Antihydrogen, a positron bound to an antiproton, is the simplest anti-atom. Its structure and properties are expected to mirror those of the hydrogen atom. Prospects for precision comparisons of the two, as tests of fundamental symmetries, are driving a vi ...

Springer Nature2017

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