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Electronic Structure of Water from Koopmans-Compliant Functionals.
de Almeida JM, Nguyen NL, Colonna N, Chen W, Rodrigues Miranda C, Pasquarello A, Marzari N. de Almeida JM, et al. Among authors: nguyen nl. J Chem Theory Comput. 2021 Jul 13;17(7):3923-3930. doi: 10.1021/acs.jctc.1c00063. Epub 2021 Jun 17. J Chem Theory Comput. 2021. PMID: 34137253
Advanced capabilities for materials modelling with Quantum ESPRESSO.
Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio RA Jr, Ferretti A, Floris A, Fratesi G, Fugallo G, Gebauer R, Gerstmann U, Giustino F, Gorni T, Jia J, Kawamura M, Ko HY, Kokalj A, Küçükbenli E, Lazzeri M, Marsili M, Marzari N, Mauri F, Nguyen NL, Nguyen HV, Otero-de-la-Roza A, Paulatto L, Poncé S, Rocca D, Sabatini R, Santra B, Schlipf M, Seitsonen AP, Smogunov A, Timrov I, Thonhauser T, Umari P, Vast N, Wu X, Baroni S. Giannozzi P, et al. Among authors: nguyen nl, nguyen hv. J Phys Condens Matter. 2017 Nov 22;29(46):465901. doi: 10.1088/1361-648X/aa8f79. Epub 2017 Oct 24. J Phys Condens Matter. 2017. PMID: 29064822 Free article.
Screening in Orbital-Density-Dependent Functionals.
Colonna N, Nguyen NL, Ferretti A, Marzari N. Colonna N, et al. Among authors: nguyen nl. J Chem Theory Comput. 2018 May 8;14(5):2549-2557. doi: 10.1021/acs.jctc.7b01116. Epub 2018 Apr 4. J Chem Theory Comput. 2018. PMID: 29494151
Simultaneously Utilizing Excited Holes and Electrons for Piezoelectric-Enhanced Photoproduction of H2O2 from S-Scheme 2D S-Doped VOx/g-C3N4 Nanostructures.
Phuoc Toan H, Nguyen DV, Phan PDM, Hoai Anh N, Ly PP, Pham MT, Hur SH, Ung TDT, Bich DD, Nguyen MC, Nguyen NL, Thuong Huyen D, Yu WJ, Vuong HT. Phuoc Toan H, et al. Among authors: nguyen nl. ACS Appl Mater Interfaces. 2024 May 22. doi: 10.1021/acsami.4c04387. Online ahead of print. ACS Appl Mater Interfaces. 2024. PMID: 38776481
180 results