Costales A - Search Results

1

The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective.

Guevara-Vela JM, Romero-Montalvo E, Costales A, Pendás ÁM, Rocha-Rinza T. Guevara-Vela JM, et al. Among authors: costales a. Phys Chem Chem Phys. 2016 Oct 14;18(38):26383-90. doi: 10.1039/c6cp04386k. Epub 2016 Jul 20. Phys Chem Chem Phys. 2016. PMID: 27435637

2

First principles study of neutral and anionic (medium-size) aluminum nitride clusters: AlnNn, n=7-16.

Costales A, Blanco MA, Francisco E, Pendas AM, Pandey R. Costales A, et al. J Phys Chem B. 2006 Mar 9;110(9):4092-8. doi: 10.1021/jp056569+. J Phys Chem B. 2006. PMID: 16509701

3

Performance of the density matrix functional theory in the quantum theory of atoms in molecules.

García-Revilla M, Francisco E, Costales A, Martín Pendás A. García-Revilla M, et al. Among authors: costales a. J Phys Chem A. 2012 Feb 2;116(4):1237-50. doi: 10.1021/jp204001n. Epub 2011 Sep 27. J Phys Chem A. 2012. PMID: 21943031

4

On the interpretation of domain averaged Fermi hole analyses of correlated wavefunctions.

Francisco E, Martín Pendás A, Costales A. Francisco E, et al. Among authors: costales a. Phys Chem Chem Phys. 2014 Mar 14;16(10):4586-97. doi: 10.1039/c3cp54513j. Phys Chem Chem Phys. 2014. PMID: 24457524

5

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde.

Romero-Montalvo E, Guevara-Vela JM, Costales A, Pendás ÁM, Rocha-Rinza T. Romero-Montalvo E, et al. Among authors: costales a. Phys Chem Chem Phys. 2016 Dec 21;19(1):97-107. doi: 10.1039/c6cp04877c. Phys Chem Chem Phys. 2016. PMID: 27722301

6

An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor.

Pendás ÁM, Guevara-Vela JM, Crespo DM, Costales A, Francisco E. Pendás ÁM, et al. Among authors: costales a. Phys Chem Chem Phys. 2017 Jan 18;19(3):1790-1797. doi: 10.1039/c6cp07617c. Phys Chem Chem Phys. 2017. PMID: 28044163

7

The bifunctional catalytic role of water clusters in the formation of acid rain.

Romero-Montalvo E, Guevara-Vela JM, Vallejo Narváez WE, Costales A, Pendás ÁM, Hernández-Rodríguez M, Rocha-Rinza T. Romero-Montalvo E, et al. Among authors: costales a. Chem Commun (Camb). 2017 Mar 23;53(25):3516-3519. doi: 10.1039/c6cc09616f. Chem Commun (Camb). 2017. PMID: 28205659

8

Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools.

Casals-Sainz JL, Jiménez-Grávalos F, Costales A, Francisco E, Pendás ÁM. Casals-Sainz JL, et al. Among authors: costales a. J Phys Chem A. 2018 Jan 25;122(3):849-858. doi: 10.1021/acs.jpca.7b10714. Epub 2018 Jan 16. J Phys Chem A. 2018. PMID: 29266947

9

Halogen Bonds in Clathrate Cages: A Real Space Perspective.

Guevara-Vela JM, Ochoa-Resendiz D, Costales A, Hernández-Lamoneda R, Martín Pendás Á. Guevara-Vela JM, et al. Among authors: costales a. Chemphyschem. 2018 Oct 5;19(19):2512-2517. doi: 10.1002/cphc.201800474. Epub 2018 Jul 19. Chemphyschem. 2018. PMID: 29933510

10

Partition of electronic excitation energies: the IQA/EOM-CCSD method.

Fernández-Alarcón A , Casals-Sainz JL , Guevara-Vela JM , Costales A , Francisco E , Martín Pendás Á , Rocha-Rinza T . Fernández-Alarcón A , et al. Among authors: costales a. Phys Chem Chem Phys. 2019 Jun 26;21(25):13428-13439. doi: 10.1039/c9cp00530g. Phys Chem Chem Phys. 2019. PMID: 30942218

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