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Record W4387649906 · doi:10.1039/bk9781782621737-00559

On the Nature of Hydrogen–Hydrogen Bonding

2017· book-chapter· en· W4387649906 on OpenAlexaff
Juan Carlos García‐Ramos, Fernando Cortés‐Guzmán, Chérif F. Matta

Bibliographic record

Venuenot available
Typebook-chapter
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsMount Saint Vincent UniversityDalhousie University
Fundersnot available
Keywordsvan der Waals forceHydrogen bondChemical physicsChemistryAtoms in moleculesHydrogenMoleculeComputational chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

This chapter reviews the recent experimental and computational evidence that support the concept of “hydrogen–hydrogen (or H–H) bonding” which involves the interaction of two neutral hydrogen atoms or two hydrogen atoms bearing charges of the same sign, as a new class of weak interactions. The H–H bonding interaction gains importance due to its utility in rationalizing the stability of several systems where no other attractive interactions are involved such as crystalline structures of n-alkanes and polyhedranes. H–H bonding complements the list of long-known interactions that stabilize the structures of proteins and other macromolecules such as hydrogen-bonding and van der Waals interactions that play a crucial role in the description of chemical structural, stability, and reactivity. The elucidation of this weak interaction from the standpoint of the Quantum Theory of Atoms in Molecules (QTAIM) leads to a quantitative description that is testable by experiment, and provides new insight that broadens and expands our understanding of weak interactions, ubiquitous as they are in nature.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Other · Consensus signal: Other
Teacher disagreement score0.883
Threshold uncertainty score0.993

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0080.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.013
GPT teacher head0.249
Teacher spread0.236 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designTheoretical or conceptual
Domainnot available
GenreOther

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations3
Published2017
Admission routes1
Has abstractyes

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