Get all the updates for this publication
Articles
Density Functional Tight Binding Calculations for Probing Electronic‐Excited States of Large SystemsPublished in
2022
Volume: 32
Pages: 45 - 79
Content may be subject to copyright.
About the journal
| Journal | Reviews in Computational Chemistry, Volume |
|---|
Authors (1)
Sharma S. R. K. C. Yamijala- Tuning the Electronic and Optical Properties of Graphene and Boron-nitride Quantum Dots by Molecular Charge-transfer Interactions: A Theoretical Study
- Electronic and Magnetic Properties of Zigzag Boron-nitride Nanoribbons with Even and Odd-line Stone-Wales (5–7 Pair) Defects
- Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations
- Direct Nonadiabatic Simulations of the Photoinduced Charge Transfer Dynamics
