Martín Pendás Á - Search Results

1

Nine questions on energy decomposition analysis.

Andrés J, Ayers PW, Boto RA, Carbó-Dorca R, Chermette H, Cioslowski J, Contreras-García J, Cooper DL, Frenking G, Gatti C, Heidar-Zadeh F, Joubert L, Martín Pendás Á, Matito E, Mayer I, Misquitta AJ, Mo Y, Pilmé J, Popelier PLA, Rahm M, Ramos-Cordoba E, Salvador P, Schwarz WHE, Shahbazian S, Silvi B, Solà M, Szalewicz K, Tognetti V, Weinhold F, Zins ÉL. Andrés J, et al. Among authors: martin pendas a. J Comput Chem. 2019 Oct 5;40(26):2248-2283. doi: 10.1002/jcc.26003. Epub 2019 Jun 28. J Comput Chem. 2019. PMID: 31251411

2

Bases for Understanding Polymerization under Pressure: The Practical Case of CO2.

Contreras-García J, Martín-Pendás A, Silvi B, Recio JM. Contreras-García J, et al. Among authors: martin pendas a. J Phys Chem B. 2009 Jan 29;113(4):1068-73. doi: 10.1021/jp8069546. J Phys Chem B. 2009. PMID: 19127987

3

Domain-averaged exchange-correlation energies as a physical underpinning for chemical graphs.

García-Revilla M, Francisco E, Popelier PL, Martín Pendás A. García-Revilla M, et al. Among authors: martin pendas a. Chemphyschem. 2013 Apr 15;14(6):1211-8. doi: 10.1002/cphc.201300092. Epub 2013 Mar 28. Chemphyschem. 2013. PMID: 23553819

4

One-electron images in real space: natural adaptive orbitals.

Menéndez M, Álvarez Boto R, Francisco E, Martín Pendás Á. Menéndez M, et al. Among authors: martin pendas a. J Comput Chem. 2015 Apr 30;36(11):833-43. doi: 10.1002/jcc.23861. Epub 2015 Feb 18. J Comput Chem. 2015. PMID: 25691432

5

Nature of Chemical Interactions from the Profiles of Electron Delocalization Indices.

García-Revilla M, Popelier PL, Francisco E, Martín Pendás Á. García-Revilla M, et al. Among authors: martin pendas a. J Chem Theory Comput. 2011 Jun 14;7(6):1704-11. doi: 10.1021/ct2001842. Epub 2011 May 25. J Chem Theory Comput. 2011. PMID: 26596434

6

A multipolar approach to the interatomic covalent interaction energy.

Francisco E, Menéndez Crespo D, Costales A, Martín Pendás Á. Francisco E, et al. Among authors: martin pendas a. J Comput Chem. 2017 Apr 30;38(11):816-829. doi: 10.1002/jcc.24758. Epub 2017 Feb 16. J Comput Chem. 2017. PMID: 28211059

7

Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective.

Jara-Cortés J, Guevara-Vela JM, Martín Pendás Á, Hernández-Trujillo J. Jara-Cortés J, et al. Among authors: martin pendas a. J Comput Chem. 2017 May 15;38(13):957-970. doi: 10.1002/jcc.24769. Epub 2017 Mar 7. J Comput Chem. 2017. PMID: 28266036

8

Dative and Electron-Sharing Bonding in C₂ F₄.

Andrada DM, Casals-Sainz JL, Martín Pendás Á, Frenking G. Andrada DM, et al. Among authors: martin pendas a. Chemistry. 2018 Jun 26;24(36):9083-9089. doi: 10.1002/chem.201800680. Epub 2018 Jun 6. Chemistry. 2018. PMID: 29578617

9

Revitalizing the concept of bond order through delocalization measures in real space.

Outeiral C, Vincent MA, Martín Pendás Á, Popelier PLA. Outeiral C, et al. Among authors: martin pendas a. Chem Sci. 2018 Jun 13;9(25):5517-5529. doi: 10.1039/c8sc01338a. eCollection 2018 Jul 7. Chem Sci. 2018. PMID: 30061983 Free PMC article.

10

A first step towards quantum energy potentials of electron pairs.

Munárriz J , Laplaza R , Martín Pendás A , Contreras-García J . Munárriz J , et al. Among authors: martin pendas a. Phys Chem Chem Phys. 2019 Feb 20;21(8):4215-4223. doi: 10.1039/c8cp07509c. Phys Chem Chem Phys. 2019. PMID: 30747171

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