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Year | Number of Results |
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2008 | 1 |
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2018 | 1 |
2024 | 0 |
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Page 1
Theoretical investigation of stabilities and optical properties of Si12C12 clusters.
J Chem Phys. 2015 Jan 21;142(3):034303. doi: 10.1063/1.4905542.
J Chem Phys. 2015.
PMID: 25612705
The closo-Si12C12 molecule from cluster to crystal: A theoretical prediction.
Duan XF, Burggraf LW.
Duan XF, et al.
J Chem Phys. 2016 Mar 21;144(11):114309. doi: 10.1063/1.4943957.
J Chem Phys. 2016.
PMID: 27004878
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Predictive coupled-cluster isomer orderings for some SinCm (m, n ≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks.
Byrd JN, Lutz JJ, Jin Y, Ranasinghe DS, Montgomery JA Jr, Perera A, Duan XF, Burggraf LW, Sanders BA, Bartlett RJ.
Byrd JN, et al. Among authors: duan xf.
J Chem Phys. 2016 Jul 14;145(2):024312. doi: 10.1063/1.4955196.
J Chem Phys. 2016.
PMID: 27421410
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Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method.
Adamson PE, Duan XF, Burggraf LW, Pak MV, Swalina C, Hammes-Schiffer S.
Adamson PE, et al. Among authors: duan xf.
J Phys Chem A. 2008 Feb 14;112(6):1346-51. doi: 10.1021/jp7098015. Epub 2008 Jan 24.
J Phys Chem A. 2008.
PMID: 18215029
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Valence and charge-transfer optical properties for some SinCm (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy.
Lutz JJ, Duan XF, Ranasinghe DS, Jin Y, Margraf JT, Perera A, Burggraf LW, Bartlett RJ.
Lutz JJ, et al. Among authors: duan xf.
J Chem Phys. 2018 May 7;148(17):174309. doi: 10.1063/1.5022701.
J Chem Phys. 2018.
PMID: 29739206
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Searching for stable Si(n)C(n) clusters: combination of stochastic potential surface search and pseudopotential plane-wave Car-Parinello simulated annealing simulations.
Duan XF, Burggraf LW, Huang L.
Duan XF, et al.
Molecules. 2013 Jul 22;18(7):8591-606. doi: 10.3390/molecules18078591.
Molecules. 2013.
PMID: 23881049
Free PMC article.
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The closo-Si12C12 molecule from cluster to crystal: Effects of hydrogenation and oligomerization on excited states.
Duan XF, Burggraf LW.
Duan XF, et al.
J Chem Phys. 2017 Jun 21;146(23):234302. doi: 10.1063/1.4984063.
J Chem Phys. 2017.
PMID: 28641441
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