Energetics of carbon clusters C20 from all-electron quantum Monte Carlo calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
1. Precursors toC60fullerene formation
2. LDA Predictions of C20 Isomerizations: Neutral and Charged Species
3. Vibrational and electronic properties of neutral and negatively chargedC20clusters
4. Structure and Stability of Molecular Carbon: Importance of Electron Correlation
5. Structure and Bonding in Carbon ClustersC14toC24: Chains, Rings, Bowls, Plates, and Cages
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2. Accelerating the prediction of large carbon clusters via structure search: Evaluation of machine-learning and classical potentials;Carbon;2022-05
3. Statistical abundance and stability of carbon nanostructures by combined condensation-annealing molecular dynamics simulations;Computational and Theoretical Chemistry;2021-07
4. A polarizability driven ab initio molecular dynamics approach to stimulating Raman activity: Application to C20;Molecular Physics;2021-06-11
5. QUANTUM-CHEMICAL INVESTIGATION OF THE COMPLEXATION OF TITANOCENE DICHLORIDE WITH C20 AND M+@C20 (M+ = Li, Na, K) CAGES;Journal of Structural Chemistry;2020-11
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