Advancing the Frontiers: Contemporary Achievements and Future Directions in Density Functional Theory Calculations

Density Functional Theory (DFT) has been a cornerstone of computational chemistry and physics for several decades [...].

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Publication Details

Journal
Molecules
Published
2026-02-15
DOI
https://doi.org/10.3390/molecules31040676
Primary Topic
Advanced Chemical Physics Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

Advancing the Frontiers: Contemporary Achievements and Future Directions in Density Functional Theory Calculations

Aleksandr S. Kazachenko
Molecules
Advanced Chemical Physics Studies
article

Advancing the Frontiers: Contemporary Achievements and Future Directions in Density Functional Theory Calculations

Aleksandr S. Kazachenko
article en

Abstract

Density Functional Theory (DFT) has been a cornerstone of computational chemistry and physics for several decades [...].

MoleculesVol. 31(4)
University of Monastir (TN), Krasnoyarsk Scientific Center (RU), Institute of Chemistry and Chemical Technology (RU), Krasnoyarsk State Medical University (RU), Siberian Federal University (RU), Siberian State Aerospace University (RU)
Siberian Branch, Russian Academy of Sciences, Russian Academy of Sciences
Openalex Percentile: Top 53%
Advanced Chemical Physics Studies
DOIOpen Access PDFOpenAlex
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