44 2033180199
All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission System of respective journal.
Faculty of Natural Sciences and Technology, University of Saarland, 66123, Saarbrücken, Germany

Publications

  • Research Article   
    A DFTB Study on Au36, 37 & 39, 40 (C1) Metallic Gold Nanoclusters (AuNCs), the Double and the Triple-State Degrees of Degeneracy
    Author(s): K. Vishwanathan*

    In this article, an interesting phenomenon has described the geometries and vibrational frequency of the stable AuN clusters with N=36, 37, 39 and 40. We have found all 4 clusters are having the very same C1 point symmetry group. For the re-optimization process, the finite-differentiation method has been implemented within the Density Functional Tight Binding (DFTB) approach. The effects of the range of interatomic forces were calculated and the desired set of system Eigen frequencies (3N-6) are obtained by diagonalization of the symmetric positive semidefinite Hessian matrix. More than anything else, we have observed the vibrational spectra, which occur between 0.98 cm-1 and 304.48 cm-1 at ?E =0. Most significantly, all the clusters had come across the double and the triple state degeneracies, which are due to the stretching and the bending mode of the vibrations through the atoms. N.. Read More»
    DOI: 10.37532/puljnn.2023.7(1).1-5.

 
Google Scholar citation report
Citations : 51

Journal of Nanoscience and Nanomedicine received 51 citations as per Google Scholar report

pulsus-health-tech
Top