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September 23, 2022
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Simple Molecular Systems at Very High Pressures: Computer simulation studies

Publicated to: Review Of High Pressure Science And Technology/Koatsuryoku No Kagaku To Gijutsu. 7 172-177 - 1998-01-01 7(), DOI: 10.4131/jshpreview.7.172

Authors:

Chiarotti GL; Ancilotto F; Bernasconi M; Cavazzoni C; Seandolo S; Serra S; Tosatti E; Focher P; Bernard S; Kohanoff J; Parrinello M
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Abstract

We discuss the application of ab initio molecular dynamics simulations results to a variety of simple molecular systems under pressure. In particular we consider the polymerization and subsequent amorphization of C2H2 crystals upon compression up to 50 GPa, the determination of the ground state structure of the broken symmetry phase of H2 in the pressure range 100-150 GPa, the fate of methane and ammonia along the isentrope of the middle ice layers of Neptune. We also discuss preliminary applications to O2 and CO. © 1998, The Japan Society of High Pressure Science and Technology. All rights reserved.
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Keywords

Computer simulationsHigh pressureMolecular solidsPlanetary science

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

Independientemente del impacto esperado determinado por el canal de difusión, es importante destacar el impacto real observado de la propia aportación.

Según las diferentes agencias de indexación, el número de citas acumuladas por esta publicación hasta la fecha 2025-12-21:

  • Scopus: 1
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Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-12-21:

  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 2 (PlumX).

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

  • The work has been submitted to a journal whose editorial policy allows open Open Access publication.
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Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: France; Germany; Italy.

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