Si-dian Y. Li

Conjugated planar polymers and tubular nanobelts of the perfect in-plane [55555] metallo-annulene Pt©C15H10.

Journal: Journal of molecular modeling

Published: April 15, 2026

Observation of quasi-planar boron carbonyl complexes B36(CO)n+ (n = 1-6) analogous to coronene monocation C24H12.

Journal: Physical chemistry chemical physics : PCCP

Published: January 29, 2026

Perfect in-Plane [5555] Metallo-Annulene Frameworks and Nonmetallo-Annulene Complexes: A Theoretical Prediction.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)

Published: January 20, 2026

Catalyst-free activation and conversion of up to seven CO2 by a B6+ monocation.

Journal: The Journal of chemical physics

Published: January 05, 2026

Emergence of bulk-like structural features and 2D-to-3D transition in boron nanoclusters.

Journal: Proceedings of the National Academy of Sciences of the United States of America

Published: November 21, 2025

Observation of double-ring tubular B20(CO)n+ (n = 1-8): emergence of 2D-to-3D transition in boron carbonyl complexes.

Journal: Physical chemistry chemical physics : PCCP

Published: August 11, 2025

Fluxional Halogen Bonds Versus Interlayer Stacking - Theory Meets Experiment.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)

Published: August 09, 2025

Observation of boron carbonyl complexes B11(CO)n+ (n = 1-6) and B15(CO)n+ (n = 1-5) with conflicting aromaticity.

Journal: Physical chemistry chemical physics : PCCP

Published: March 21, 2025

Prediction of endohedral borafullerenes X@B32C36 (X = CH4, BH4-, H2O, and NH3) with a B32C36 shell isovalent with C60.

Journal: Journal of molecular modeling

Published: December 01, 2024

Investigation on the Coordination Bonding Nature of Actinide-Doped Endohedral Borospherenes An@B400/+/- (An = U, Np, Pu, Am, Cm).

Journal: Molecules (Basel, Switzerland)

Published: October 28, 2024

Journal: Molecules (Basel, Switzerland)

Published: July 09, 2024

To What Extent Do Iodomethane and Bromomethane Undergo Analogous Reactions?

Journal: The journal of physical chemistry. A

Published: February 09, 2024

Conjugated planar polymers and tubular nanobelts of the perfect in-plane [55555] metallo-annulene Pt©C15H10.

Conjugated planar polymers and tubular nanobelts of the perfect in-plane [55555] metallo-annulene Pt©C15H10.

Observation of quasi-planar boron carbonyl complexes B36(CO)n+ (n = 1-6) analogous to coronene monocation C24H12.

Observation of quasi-planar boron carbonyl complexes B36(CO)n+ (n = 1-6) analogous to coronene monocation C24H12.

Perfect in-Plane [5555] Metallo-Annulene Frameworks and Nonmetallo-Annulene Complexes: A Theoretical Prediction.

Perfect in-Plane [5555] Metallo-Annulene Frameworks and Nonmetallo-Annulene Complexes: A Theoretical Prediction.

Catalyst-free activation and conversion of up to seven CO2 by a B6+ monocation.

Catalyst-free activation and conversion of up to seven CO2 by a B6+ monocation.

Emergence of bulk-like structural features and 2D-to-3D transition in boron nanoclusters.

Emergence of bulk-like structural features and 2D-to-3D transition in boron nanoclusters.

Observation of double-ring tubular B20(CO)n+ (n = 1-8): emergence of 2D-to-3D transition in boron carbonyl complexes.

Observation of double-ring tubular B20(CO)n+ (n = 1-8): emergence of 2D-to-3D transition in boron carbonyl complexes.

Fluxional Halogen Bonds Versus Interlayer Stacking - Theory Meets Experiment.

Fluxional Halogen Bonds Versus Interlayer Stacking - Theory Meets Experiment.

Observation of boron carbonyl complexes B11(CO)n+ (n = 1-6) and B15(CO)n+ (n = 1-5) with conflicting aromaticity.

Observation of boron carbonyl complexes B11(CO)n+ (n = 1-6) and B15(CO)n+ (n = 1-5) with conflicting aromaticity.

Prediction of endohedral borafullerenes X@B32C36 (X = CH4, BH4-, H2O, and NH3) with a B32C36 shell isovalent with C60.

Prediction of endohedral borafullerenes X@B32C36 (X = CH4, BH4-, H2O, and NH3) with a B32C36 shell isovalent with C60.

Investigation on the Coordination Bonding Nature of Actinide-Doped Endohedral Borospherenes An@B400/+/- (An = U, Np, Pu, Am, Cm).

Investigation on the Coordination Bonding Nature of Actinide-Doped Endohedral Borospherenes An@B400/+/- (An = U, Np, Pu, Am, Cm).

Cl©Li5Cl5-: A Star-like Superhalogen Anion Featuring a Planar Pentacoordinate Chlorine at the Center.

Cl©Li5Cl5-: A Star-like Superhalogen Anion Featuring a Planar Pentacoordinate Chlorine at the Center.

To What Extent Do Iodomethane and Bromomethane Undergo Analogous Reactions?

To What Extent Do Iodomethane and Bromomethane Undergo Analogous Reactions?