Evidence map›Paper›PMID 35377642›Full record

ArticleJournal of chemical theory and computation2022

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals.

Benjamin Rudshteyn, John L Weber, Dilek Coskun, Pierre A Devlaminck, Shiwei Zhang, David R Reichman, James Shee, Richard A Friesner

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of chemical theory and computation, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

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.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

7 citing papers in PubMed.

  1. Evidence for multi-LiNature · 2026
    Article
  2. Article
  3. Modified Opposite-Spin-Scaled Double-Hybrid Functionals.The journal of physical chemistry. A · 2025
    Article
  4. Article
  5. Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT.Journal of chemical theory and computation · 2023
    Article
  6. Article
  7. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

Benjamin RudshteynDepartment of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States.ORCID 0000-0002-9511-6780
John L WeberDepartment of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States.ORCID 0000-0002-4937-9651
Dilek CoskunDepartment of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States.ORCID 0000-0002-2080-0852
Pierre A DevlaminckDepartment of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States.
Shiwei ZhangCenter for Computational Quantum Physics, Flatiron Institute, 162 Fifth Avenue, New York, New York 10010, United States.
David R ReichmanDepartment of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States.
James SheeDepartment of Chemistry, University of California, Berkeley, California 94720, United States.ORCID 0000-0001-8333-8151
Richard A FriesnerDepartment of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States.ORCID 0000-0002-1708-9342

Funding

Towards a quantum-mechanical understanding of proton-coupled electron transfer and transition metal reactivity in biological processesF32GM142231 · NIGMS · UNIVERSITY OF CALIFORNIA BERKELEY · PI SHEE, JAMES · 2021 to 2022
$134k
Accurate Quantum Chemistry of Protein Active Sites using Auxiliary-Field Quantum Monte CarloF32GM136105 · NIGMS · COLUMBIA UNIV NEW YORK MORNINGSIDE · PI RUDSHTEYN, BENJAMIN · 2020 to 2021
$109k
NIGMS NIH HHS F32 GM136105NIGMS NIH HHS F32 GM142231
6 · The paper itself

Abstract

The accurate

Identifiers

PMID35377642
PMCPMC9123894

What OpenQuestion holds

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Registered trials

None linked

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.