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vibrational properties

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3 results in Keywords: vibrational properties

Materials Science

Tight-Binding Investigation of Structural and Vibrational Properties of Graphene-Single Wall Carbon Nanotube Junctions

Juhi Srivastava, Anshu Gaur

Version 1 posted 28 July 2020

324

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Theoretical and Computational Chemistry

A database of molecular properties integrated in the Materials Project

Evan Walter Clark Spotte-Smith, Orion Archer Cohen, Samuel Blau, Jason Munro, Ruoxi Yang, Rishabh Guha, Hetal Patel, Sudarshan Vijay, Patrick Huck, Ryan Kingsbury, Matthew Horton, Kristin Persson

Version 3 posted 04 October 2023

1,162

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Theoretical and Computational Chemistry

Band gap engineering in two-dimensional materials by functionalization: Methylation of graphene and graphene bilayers

Elham Mazarei, Christopher Penschke, Peter Saalfrank

Version 3 posted 10 May 2023

339

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