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Combined UMC- DFT prediction of electron-hole coupling in unit cells of pentacene crystals.
J Mol Model. 2017 May;23(5):153. doi: 10.1007/s00894-017-3317-9. Epub 2017 Apr 4.
J Mol Model. 2017.
PMID: 28378241
On the CO[Formula: see text] adsorption in a boron nitride analog for the recently synthesized biphenylene network: a DFT study.
Santos EJA, Giozza WF, de Souza Júnior RT, Nepomuceno Cavalcante NJ, Ribeiro Júnior LA, Lopes Lima KA.
Santos EJA, et al. Among authors: de souza junior rt.
J Mol Model. 2023 Sep 29;29(10):327. doi: 10.1007/s00894-023-05709-y.
J Mol Model. 2023.
PMID: 37773546
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