Efficient Determination of Water/Ice Phase Diagram through Isenthalpic-Isobaric Molecular Dynamics Simulations.

Arthur Benigno Weidmann, Luís Fernando Mercier Franco, Amadeu K Sum, Pedro de Alcântara Pessôa Filho

Abstract read

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Article in The journal of physical chemistry. B, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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0cells of the map it votes in

1citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

Determination of Hydroquinone Clathrate Stability for Different Guest Molecules UsingEnergy & fuels : an American Chemical Society journal · 2026
Article

4 · The record

Corrections and comments

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5 · Who and what money

Authors and funding

4 authors.

Arthur Benigno WeidmannDepartamento de Engenharia Química, Escola Politécnica, Universidade de São Paulo (USP), Av. Prof. Luciano Gualberto, 380, São Paulo, São Paulo 05508-010, Brazil.

Luís Fernando Mercier FrancoFaculdade de Engenharia Química, Universidade Estadual de Campinas (UNICAMP), Av. Albert Einstein, 500, Campinas, São Paulo 13083-852, Brazil.ORCID 0000-0002-9334-9660

Amadeu K SumChemical and Biological Engineering Department, Phases to Flow Laboratory, Colorado School of Mines, 1500 Illinois St., Golden, Colorado 80401, United States.ORCID 0000-0003-1903-4537

Pedro de Alcântara Pessôa FilhoDepartamento de Engenharia Química, Escola Politécnica, Universidade de São Paulo (USP), Av. Prof. Luciano Gualberto, 380, São Paulo, São Paulo 05508-010, Brazil.ORCID 0000-0003-4315-7238

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Predicting the water phase diagram is a powerful way to evaluate water models through molecular simulations. Equilibrium points are usually obtained through free energy calculations or direct coexistence simulations in the

Identifiers

PMID40253600

DOI10.1021/acs.jpcb.5c01289

PMCPMC12086842

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.