Concept

Molecular symmetry

Related publications (196)

Topology-Driven Single-Molecule Conductance of Carbon Nanothreads

Highly conductive single-molecule junctions typically involve pi-conjugated molecular bridges, whose frontier molecular orbital energy levels can be fine-tuned to best match the Fermi level of the leads. Fully saturated wires, e.g., alkanes, are typically ...

AMER CHEMICAL SOC2019

A General Theory of Equivariant CNNs on Homogeneous Spaces

Mario Geiger

We present a general theory of Group equivariant Convolutional Neural Networks (G-CNNs) on homogeneous spaces such as Euclidean space and the sphere. Feature maps in these networks represent fields on a homogeneous base space, and layers are equivariant ma ...

NEURAL INFORMATION PROCESSING SYSTEMS (NIPS)2019

Conceptual design of a rotational mechanical time base with varying inertia

Simon Nessim Henein, Etienne Frédéric Gabriel Thalmann

Flexure pivot oscillators have the potential to advantageously replace the traditional balance wheel-spiral spring oscillator used in mechanical watches due to their significantly lower friction. However, they have inherent nonlinear elastic properties tha ...

2019

Photoregulated fluxional fluorophores for live-cell super-resolution microscopy with no apparent photobleaching

Pablo Rivera Fuentes

Photoswitchable mols. have multiple applications in the phys. and life sciences because their properties can be modulated with light. Fluxional mols., which undergo rapid degenerate rearrangements in the electronic ground state, also exhibit switching beha ...

Springer2019

A Single Hydrogen Molecule as an Intensity Chopper in an Electrically Driven Plasmonic Nanocavity

Klaus Kern, Anna Maria Roslawska, Abhishek Grewal, Christoph Grosse

Photon statistics is a powerful tool for characterizing the emission dynamics of nanoscopic systems and their photophysics. Recent advances that combine correlation spectroscopy with scanning tunneling microscopy induced luminescence (STML) have allowed th ...

AMER CHEMICAL SOC2019

Plasmonic and Dielectric Metasurfaces for Molecular Specific Mid-IR Biosensors

Hatice Altug

Mid-infrared spectrum is powerful for biosensing application, as it encompasses the molecular vibrations that uniquely identify the biochemicals. Here, we will present our contributions using metal, graphene and dielectric based Mid-IR nanophotonics. ...

IEEE2018

Time reversal and symmetries of time correlation functions

Sara Bonella, Alessandro Coretti

The time reversal invariance of classical dynamics is reconsidered in this paper with specific focus on its consequences for time correlation functions and associated properties such as transport coefficients. We show that, under fairly common assumptions ...

2018

Quantum-state-resolved reactivity of overtone excited CH4 on Ni(111): Comparing experiment and theory

Rainer Beck, Phil Morten Hundt, Maarten Eduard van Reijzen

Quantum state resolved reactivity measurements probe the role of vibrational symmetry on the vibrational activation of the dissociative chemisorption of CH4 on Ni(111). IR-IR double resonance excitation in a molecular beam was used to prepare CH4 in three ...

American Institute of Physics2017

Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond Dynamics

David Mark Wilkins

We combine classical and ring polymer molecular dynamics simulations with the molecular jump model to provide a molecular description of the nuclear quantum effects (NQEs) on water reorientation and hydrogen-bond dynamics in liquid H2O and D2O. We show tha ...

Amer Chemical Soc2017

Time-reversal symmetry for systems in a constant external magnetic field

Sara Bonella, Alessandro Coretti

The time-reversal properties of charged systems in a constant external magnetic field are reconsidered in this paper. We show that the evolution equations of the system are invariant under a new symmetry operation that implies a new signature property for ...

Amer Physical Soc2017

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