The boron conundrum: Bonding in the bowl B30 and B36, fullerene B40 and triple ring B42 clusters

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.5K citations

Natural Sciences, Chemistry, Physics +14

Classification of chemical bonds based on topological analysis of electron localization functions

Bernard Silvi, Andreas Savin · Nature · 1994 · 4.3K citations

Natural Sciences, Chemistry, Molecular Physics +15

Calculation of magnetic response properties using a continuous set of gauge transformations

Todd A. Keith, Richard F. W. Bader · Chemical Physics Letters · 1993 · 959 citations

Natural Sciences, Physics, Computational Physics +12

Planar hexagonal B36 as a potential basis for extended single-atom layer boron sheets

Zachary A. Piazza, Han‐Shi Hu, Wei‐Li Li et al. · Nature Communications · 2014 · 843 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +12

Hydrocarbon analogues of boron clusters — planarity, aromaticity and antiaromaticity

Hua‐Jin Zhai, Boggavarapu Kiran, Jun Li et al. · Nature Materials · 2003 · 750 citations

Natural Sciences, Chemistry, Medicinal Chemistry +14