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

Molecules 2026 Open access

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Authors: Aleksandr S. Kazachenko, Noureddine Issaoui

DOI: 10.3390/molecules31040676

Cited by: 1

References: 105

Abstract

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

Advanced Chemical Physics Studies Crystallography and molecular interactions Inorganic Fluorides and Related Compounds

References 105