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Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review.
Molecules. 2019 Apr 26;24(9):1653. doi: 10.3390/molecules24091653.
Molecules. 2019.
PMID: 31035516
Free PMC article.
Review.
Evolution of the Spin Magnetic Moments and Atomic Valence of Vanadium in VCux+, VAgx+, and VAux+ Clusters (x = 3-14).
Blades WH, Reber AC, Khanna SN, López-Sosa L, Calaminici P, Köster AM.
Blades WH, et al. Among authors: lopez sosa l.
J Phys Chem A. 2017 Apr 20;121(15):2990-2999. doi: 10.1021/acs.jpca.7b01030. Epub 2017 Apr 11.
J Phys Chem A. 2017.
PMID: 28350450
Item in Clipboard
Isomerization Reactions of the Cu15V+ Cluster: A Density Functional Theory Study.
López-Sosa L, Sanchez-Álvarez JA, Calaminici P.
López-Sosa L, et al.
J Phys Chem A. 2022 Apr 28;126(16):2463-2470. doi: 10.1021/acs.jpca.2c00686. Epub 2022 Apr 13.
J Phys Chem A. 2022.
PMID: 35417171
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Cartesian constraints in QM/MM optimizations.
López-Sosa L, Calaminici P, Köster AM.
López-Sosa L, et al.
J Comput Chem. 2023 Nov 15;44(30):2358-2368. doi: 10.1002/jcc.27202. Epub 2023 Aug 28.
J Comput Chem. 2023.
PMID: 37635671
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Cycloaddition reactions via "on water" protocol reactions: A density functional theory study.
López-Sosa L, Calaminici P.
López-Sosa L, et al.
J Comput Chem. 2024 Apr 15;45(10):595-609. doi: 10.1002/jcc.27268. Epub 2023 Dec 6.
J Comput Chem. 2024.
PMID: 38054389
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Electron Microscopy Characterization of Stubble Residues (Zea mays) as a Solid Biofuel.
Morales CN, Morales-Máximo M, López-Sosa LB, López-Miranda A.
Morales CN, et al. Among authors: lopez sosa lb.
Microsc Microanal. 2023 Jul 22;29(Suppl 1):90-91. doi: 10.1093/micmic/ozad067.037.
Microsc Microanal. 2023.
PMID: 37613166
No abstract available.
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Electron Microscopy Characterization of Bursera cuneata Schltdl Residues for its Application as Solid Biofuel.
Catillo-Tera OA, Morales-Máximo M, López-Sosa LB, Herrera-Ramírez JM.
Catillo-Tera OA, et al. Among authors: lopez sosa lb.
Microsc Microanal. 2023 Jul 22;29(Supplement_1):88-89. doi: 10.1093/micmic/ozad067.036.
Microsc Microanal. 2023.
PMID: 37613098
No abstract available.
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