Cover Feature: Overcoming Challenges in Density Functional Theory‐Based Calculations of Hyperfine Coupling Constants for Heavy Heteroatom Radicals (ChemPhysChem 10/2025)

The Cover Feature shows the exploration of relativistic one- and four-component DFT methods for predicting hyperfine coupling constants in heavy heteroatom radicals. This study outlined in M. Witwicki’s Research Article (DOI: 10.1002/cphc.202400978) offers a practical blueprint for overcoming the computational challenges posed by these complex species, helping both computational chemists and experimentalists ascend the mountain range of difficulties and reveal the hidden electronic structure of heavy-element radicals.

Authors

Institutions

Publication Details

Journal
ChemPhysChem
Published
2025-05-19
DOI
https://doi.org/10.1002/cphc.202581002
Primary Topic
Free Radicals and Antioxidants
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Cover Feature: Overcoming Challenges in Density Functional Theory‐Based Calculations of Hyperfine Coupling Constants for Heavy Heteroatom Radicals (ChemPhysChem 10/2025)

Maciej Witwicki
ChemPhysChem
Free Radicals and Antioxidants
article

Cover Feature: Overcoming Challenges in Density Functional Theory‐Based Calculations of Hyperfine Coupling Constants for Heavy Heteroatom Radicals (ChemPhysChem 10/2025)

Maciej Witwicki
article en

Abstract

The Cover Feature shows the exploration of relativistic one- and four-component DFT methods for predicting hyperfine coupling constants in heavy heteroatom radicals. This study outlined in M. Witwicki’s Research Article (DOI: 10.1002/cphc.202400978) offers a practical blueprint for overcoming the computational challenges posed by these complex species, helping both computational chemists and experimentalists ascend the mountain range of difficulties and reveal the hidden electronic structure of heavy-element radicals.

ChemPhysChemVol. 26(10)
University of Wrocław (PL)
Openalex Percentile: Top 92%
Free Radicals and Antioxidants
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.