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Related papers: Virtual spectrometer for stable radicals vibration…

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A virtual vibrational spectrometer, based on efficient software exploring unrestricted Hartree-Fock approximation, has been proposed to perform computational spectroscopy of radicals. The computational device allows obtaining spectra of IR…

Chemical Physics · Physics 2020-08-26 Elena F. Sheka , V. A. Popova

Vibrational spectroscopy is a powerful technique to characterize the near-equilibrium dynamics of molecules in the gas- and the condensed-phase. This contribution summarizes efforts from computer-based methods to gain insight into the…

Chemical Physics · Physics 2022-04-15 Markus Meuwly

Vibrational spectroscopy is a ubiquitous technology that derives the species, constituents, and morphology of an object from its natural vibrations. However, the vibrational spectra of mesoscopic particles - including most biological cells…

Vibrational levels of the electronic ground states in dye molecules have not been previously explored at high resolution in solid matrices. We present new spectroscopic measurements on single polycyclic aromatic molecules of…

We present here the tool "Virtual Spectro", a post-processor for spectroscopics analysis of hydrodynamic codes. We describe purpose and method of this tool, and the first application to analysis of high energy laser driven radiative shocks.

Solar and Stellar Astrophysics · Physics 2012-06-11 Michel Busquet

The possibility of using time-resolved vibronic spectroscopy for spectral analysis of mixtures of chemical compounds with similar optical properties, when traditional methods are inefficient, is demonstrated by using the method of computer…

Chemical Physics · Physics 2007-05-23 S. A. Astakhov , V. I. Baranov

Graphene has many unique properties that make it an ideal material for fundamental studies as well as for potential applications. Here we review the recent results on the Raman spectroscopy and imaging of graphene. Raman spectroscopy and…

Materials Science · Physics 2008-10-17 Zhen hua Ni , Ying ying Wang , Ting Yu , Ze xiang Shen

With advanced fabrication techniques it is possible to make nanoscale electronic structures that have discrete energy levels. Such structures are called artificial atoms because of analogy with true atoms. Examples of such atoms are quantum…

Mesoscale and Nanoscale Physics · Physics 2012-06-07 David Gunnarsson , Jani Tuorila , Antti Paila , Jayanta Sarkar , Erkki Thuneberg , Yuriy Makhlin , Pertti Hakonen

The purity of graphene samples is of crucial importance for their experimental and practical use. In this regard, the detection of the defects is of direct relevance. Here, we show that structural defects in graphene samples give rise to…

Materials Science · Physics 2015-10-29 Sandeep K. Jain , Vladimir Juricic , Gerard T. Barkema

This is the first article in a series of three dealing with the exploitation of speckle for imaging purposes. Speckle is the complex interference wave-field produced by a random distribution of un-resolved scatterers. In this paper, we show…

Applied Physics · Physics 2026-02-06 Elsa Giraudat , Flavien Bureau , William Lambert , Mathias Fink , Alexandre Aubry

Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…

Mesoscale and Nanoscale Physics · Physics 2016-09-27 Tommaso Cavallucci , Khatuna Kakhiani , Riccardo Farchioni , Valentina Tozzini

As molecular dynamics is increasingly used to characterize non-crystalline materials, it is crucial to verify that the numerical model is accurate enough, consistent with experimental data and can be used to extract various characteristics…

Disordered Systems and Neural Networks · Physics 2008-11-17 F. Gaspari , I. M. Kupchak , A. I. Shkrebtii , J. M. Perz

Vibrational properties of molecules are of widespread interest and importance in chemistry and biochemistry. The reliability of widely employed approximate computational methods is questioned here against the complex experimental spectrum…

Chemical Physics · Physics 2025-09-24 Apurba Nandi , Riccardo Conte , Priyanka Pandey , Paul L. Houston , Chen Qu , Qi Yu , Joel M. Bowman

Graphene research is currently one of the largest fields in condensed matter. Due to its unusual electronic spectrum with Dirac-like quasiparticles, and the fact that it is a unique example of a metallic membrane, graphene has properties…

Materials Science · Physics 2010-04-22 Antonio H. Castro Neto

Graphene, a two-dimensional (2D) material with unique electronic properties, appears to be an ideal object for the application of surface-science methods. Among them, a family of scanning probe microscopy methods (STM, AFM, KPFM) and the…

Materials Science · Physics 2015-03-30 Yuriy Dedkov , Elena Voloshina , Mikhail Fonin

Spectroscopy is a crucial laboratory technique for understanding quantum systems through their interactions with electromagnetic radiation. Particularly, spectroscopy is capable of revealing the physical structure of molecules, leading to…

Quantum Physics · Physics 2018-05-24 Ling Hu , YueChi Ma , Y. Xu , W. Wang , Y. Ma , K. Liu , M. -H. Yung , L. Sun

Spectroscopic studies of electronic phenomena in graphene are reviewed. A variety of methods and techniques are surveyed, from quasiparticle spectroscopies (tunneling, photoemission) to methods probing density and current response (infrared…

Mesoscale and Nanoscale Physics · Physics 2014-07-28 D. N. Basov , M. M. Fogler , A. Lanzara , Feng Wang , Yuanbo Zhang

Experiments are finally revealing intricate facts about graphene which go beyond the ideal picture of relativistic Dirac fermions in pristine two dimensional (2D) space, two years after its first isolation. While observations of rippling…

Other Condensed Matter · Physics 2009-11-13 Eun-Ah Kim , A. H. Castro Neto

The paper presents our opinion on the investigations and results of various kind of vibrational spectra of crystal violet (CV). After our analysis of the published spectra we came to conclusion, that the assignment of vibrations in this…

Optics · Physics 2010-10-25 A. M. Polubotko , V. P. Smirnov

A scanning tunneling microscope is used to generate the electroluminescence of phthalocyanine molecules deposited on NaCl/Ag(111). Photon spectra reveal an intense emission line at 1.9 eV that corresponds to the fluorescence of the…

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