FULL ASSIGNMENT OF AB-INITIO RAMAN SPECTRA AT FINITE TEMPERATURES USING WANNIER POLARIZABILITIES: APPLICATION TO CYCLOHEXANE MOLECULE IN GAS PHASE

Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase

We demonstrate how to fully ascribe Raman peaks simulated using ab initio molecular dynamics to specific vibrations in the structure at finite temperatures by means of Wannier functions.Here, we adopt our newly introduced method for the simulation of the Raman spectra in which the total polarizability of the system is expressed as a sum over Wannie

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Characterization and Potential of Coelogyne rochussenii Orchids from Bukit Rimbang and Bukit Baling Wildlife Sanctuary as Explant Source

Conservation is an effort to return natural resources to their habitat to restore liftmaster ppwr the ecosystem balance, which can be done in-situ and ex-situ.Coelogyne rochussenii orchid conservation efforts are essential to maintain its sustainability.The purpose of this study was to characterize C.rochussenii orchids from Bukit Rimbang and Bukit

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Graphs from Features: Tree-Based Graph Layout for Feature Analysis

Feature Analysis has become a very critical task in data analysis and visualization.Graph structures are very flexible in terms of representation and may color touch 7/97 encode important information on features but are challenging in regards to layout being adequate for analysis tasks.In this study, we propose and develop similarity-based graph la

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