Graña AM - Search Results

1

Molecular Design of Interfaces of Model Food Nanoemulsions: A Combined Experimental and Theoretical Approach.

Martínez-Senra T, Losada-Barreiro S, Hermida-Ramón JM, Graña AM, Bravo-Díaz C. Martínez-Senra T, et al. Among authors: grana am. Antioxidants (Basel). 2023 Feb 14;12(2):484. doi: 10.3390/antiox12020484. Antioxidants (Basel). 2023. PMID: 36830043 Free PMC article.

2

Blue-shifting hydrogen bond in the benzene-benzene and benzene-naphthalene complexes.

Hermida-Ramón JM, Graña AM. Hermida-Ramón JM, et al. Among authors: grana am. J Comput Chem. 2007 Jan 30;28(2):540-6. doi: 10.1002/jcc.20568. J Comput Chem. 2007. PMID: 17186487

3

Stacking and hydrogen bond interactions between adenine and gallic acid.

Lorenzo I, Graña AM. Lorenzo I, et al. Among authors: grana am. J Mol Model. 2013 Dec;19(12):5293-9. doi: 10.1007/s00894-013-2025-3. Epub 2013 Oct 24. J Mol Model. 2013. PMID: 24154612

4

Synthesis of Novel Dinuclear N-Substituted 4-(Dimethylamino)benzaldehyde Thiosemicarbazonates of Rhenium(I): Formation of Four- and/or Five-Membered Chelate Rings, Conformational Analysis, and Reactivity.

Argibay-Otero S, Graña AM, Carballo R, Vázquez-López EM. Argibay-Otero S, et al. Among authors: grana am. Inorg Chem. 2020 Oct 5;59(19):14101-14117. doi: 10.1021/acs.inorgchem.0c01887. Epub 2020 Sep 23. Inorg Chem. 2020. PMID: 32965111

5

Theoretical study of the electronic structure of CnS (n=1-6) thiocumulenes.

Pérez-Juste I, Graña AM, Carballeira L, Mosquera RA. Pérez-Juste I, et al. Among authors: grana am. J Chem Phys. 2004 Dec 1;121(21):10447-55. doi: 10.1063/1.1806414. J Chem Phys. 2004. PMID: 15549925

6

Electron density analysis on the protonation of nitriles.

López JL, Graña AM, Mosquera RA. López JL, et al. Among authors: grana am. J Phys Chem A. 2009 Mar 19;113(11):2652-7. doi: 10.1021/jp811023x. J Phys Chem A. 2009. PMID: 19235999

7

A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: application to the Z effect in O=C-X-R and related units.

Ferro-Costas D, Otero N, Graña AM, Mosquera RA. Ferro-Costas D, et al. Among authors: grana am. J Comput Chem. 2012 Dec 15;33(32):2533-43. doi: 10.1002/jcc.23090. Epub 2012 Aug 23. J Comput Chem. 2012. PMID: 22915376

8

How does aromaticity rule the thermodynamic stability of hydroporphyrins?

Otero N, Fias S, Radenković S, Bultinck P, Graña AM, Mandado M. Otero N, et al. Among authors: grana am. Chemistry. 2011 Mar 7;17(11):3274-86. doi: 10.1002/chem.201002599. Epub 2011 Feb 15. Chemistry. 2011. PMID: 21328496

9

Aromaticity in spin-polarized systems: can rings be simultaneously alpha aromatic and beta antiaromatic?

Mandado M, Graña AM, Pérez-Juste I. Mandado M, et al. Among authors: grana am. J Chem Phys. 2008 Oct 28;129(16):164114. doi: 10.1063/1.2999562. J Chem Phys. 2008. PMID: 19045254

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