ArticleJournal of chemical theory and computation2021
Encapsulation of a Water Molecule inside C
Article in Journal of chemical theory and computation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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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.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
6 citing papers in PubMed.
- Water Inside the Carbon Cage-HInternational journal of molecular sciences · 2026Review
- Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials.Digital discovery · 2025Article
- Theoretical Studies of Non-Metal Endohedral Fullerenes.Nanomaterials (Basel, Switzerland) · 2025Review
- Impact of confining hydrogen molecule inside fullerenes: A glance through DFT study.Journal of molecular modeling · 2024Article
- Unraveling the Origin of Symmetry Breaking in HChemphyschem : a European journal of chemical physics and physical chemistry · 2022Article
- Vibronic Coupling in Spherically Encapsulated, Diatomic Molecules: Prediction of a Renner-Teller-like Effect for Endofullerenes.The journal of physical chemistry. A · 2022Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We introduce an efficient quantum fully coupled computational scheme within the multiconfiguration time-dependent Hartree (MCTDH) approach to handle the otherwise extremely costly computations of translational-rotational-vibrational states and energies of light-molecule endofullenes. Quantum calculations on energy levels are reported for a water molecule inside C
Identifiers
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Registered trials
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.