A DFT study of the interaction between [Cd(H

Victor Hugo Malamace da Silva, Daniel Garcez S Quattrociocchi, Stanislav R Stoyanov, José Walkimar de Mesquita Carneiro, Leonardo Moreira da Costa, Glaucio Braga Ferreira

Abstract read

PubMed Publisher

In one paragraph

Article in Journal of molecular modeling, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it

0cells of the map it votes in

1citing papers in PubMed

0.8field-weighted citation impact, top 24% of its field

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

1 citing paper in PubMed, 12 citations in OpenAlex.

DFT analysis of the interaction between HgJournal of molecular modeling · 2020
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

6 authors at 2 institutions in 3 countries.

Victor Hugo Malamace da SilvaEscola de Engenharia, Universidade Federal Fluminense, Rua Passos da Pátria 156, Niterói, RJ, 24210-253, Brazil.

Daniel Garcez S QuattrociocchiPrograma de Pós-gradução em Química, Departamento de Química Inorgânica, Departamento de Química Orgânica, Instituto de Química, Universidade Federal Fluminense, Outeiro de São João Batista s/n, Niterói, RJ, 24020-141, Brazil.

Stanislav R StoyanovNatural Resources Canada, Canmet ENERGY in Devon, 1 Oil Patch Drive, Devon, AB, T9G 1A8, Canada. stoyanov@ualberta.ca.

José Walkimar de Mesquita CarneiroPrograma de Pós-gradução em Química, Departamento de Química Inorgânica, Departamento de Química Orgânica, Instituto de Química, Universidade Federal Fluminense, Outeiro de São João Batista s/n, Niterói, RJ, 24020-141, Brazil.

Leonardo Moreira da CostaPrograma de Pós-gradução em Química, Departamento de Química Inorgânica, Departamento de Química Orgânica, Instituto de Química, Universidade Federal Fluminense, Outeiro de São João Batista s/n, Niterói, RJ, 24020-141, Brazil. lmcosta@id.uff.br.

Glaucio Braga FerreiraPrograma de Pós-gradução em Química, Departamento de Química Inorgânica, Departamento de Química Orgânica, Instituto de Química, Universidade Federal Fluminense, Outeiro de São João Batista s/n, Niterói, RJ, 24020-141, Brazil. glauciob@vm.uff.ORCID http://orcid.org/0000-0002-3205-3743

Universidade Federal Fluminense · BRNatural Resources Canada · CA

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A series of B3LYP/6-311+G(d,p) calculations of the affinity of monodentate ligands for [Cd(H

Indexed as

[Cd(H2O)3]2+ cationDensity functional theory (DFT)Energy decomposition analysis (EDA)Interaction strengthNatural bond orbital (NBO) analysisO- and N- and S-donor ligands

Identifiers

PMID29313121

DOI10.1007/s00894-017-3571-x

OpenAlexW2782817059

What OpenQuestion holds

Textmetadata

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.