Evidence map›Paper›PMID 36287915›Full record

ReviewJournal of chemical theory and computation2022

Minimal Active Space: NOSCF and NOSI in Multistate Density Functional Theory.

Yangyi Lu, Ruoqi Zhao, Jun Zhang, Meiyi Liu, Jiali Gao

Abstract readReview
In one paragraph

Review 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 10 papers.

0numbers the graph read from it
0cells of the map it votes in
10citing 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

10 citing papers in PubMed.

  1. Article
  2. Excited-State Energy Decomposition Analysis.Annual reports in computational chemistry · 2025
    Article
  3. Article
  4. Structure of Multi-State Correlation in Electronic Systems.Journal of chemical theory and computation · 2024
    Article
  5. Article
  6. Review
  7. Excimer Energies.The journal of physical chemistry letters · 2023
    Article
  8. Review
  9. Article
  10. Multistate Density Functional Theory: Theory, Methods, and Applications.Wiley interdisciplinary reviews. Computational molecular science
    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

5 authors.

Yangyi LuInstitute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.ORCID 0000-0002-1602-1661
Ruoqi ZhaoInstitute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.
Jun ZhangInstitute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.ORCID 0000-0001-9093-9430
Meiyi LiuInstitute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.
Jiali GaoInstitute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.ORCID 0000-0003-0106-7154

Funding

BIOMOLECULAR INTERACTIONS AND ENZYMATIC PROCESSESR01GM046736 · NIGMS · UNIVERSITY OF MINNESOTA TWIN CITIES · PI JIALI GAO · 1993 to 2026
$6.5M
NIGMS NIH HHS R01 GM046736
6 · The paper itself

Abstract

In this Perspective, we introduce a minimal active space (MAS) for the lowest

Identifiers

PMID36287915
PMCPMC12747309

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

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.