Espinosa E - Search Results

1

Quantum Crystallography: Current Developments and Future Perspectives.

Genoni A, Bučinský L, Claiser N, Contreras-García J, Dittrich B, Dominiak PM, Espinosa E, Gatti C, Giannozzi P, Gillet JM, Jayatilaka D, Macchi P, Madsen AØ, Massa L, Matta CF, Merz KM Jr, Nakashima PNH, Ott H, Ryde U, Schwarz K, Sierka M, Grabowsky S. Genoni A, et al. Among authors: espinosa e. Chemistry. 2018 Aug 1;24(43):10881-10905. doi: 10.1002/chem.201705952. Epub 2018 Jul 13. Chemistry. 2018. PMID: 29488652

2

On atom-atom 'short contact' bonding interactions in crystals.

Lecomte C, Espinosa E, Matta CF. Lecomte C, et al. Among authors: espinosa e. IUCrJ. 2015 Feb 26;2(Pt 2):161-3. doi: 10.1107/S2052252515002067. eCollection 2015 Mar 1. IUCrJ. 2015. PMID: 25866651 Free PMC article.

3

Charge-assisted halogen bonding: donor-acceptor complexes with variable ionicity.

Lieffrig J, Jeannin O, Frąckowiak A, Olejniczak I, Świetlik R, Dahaoui S, Aubert E, Espinosa E, Auban-Senzier P, Fourmigué M. Lieffrig J, et al. Among authors: espinosa e. Chemistry. 2013 Oct 25;19(44):14804-13. doi: 10.1002/chem.201302507. Epub 2013 Oct 8. Chemistry. 2013. PMID: 24591214

4

Charged versus Neutral Hydrogen-Bonded Complexes: Is There a Difference in the Nature of the Hydrogen Bonds?

Alkorta I, Mata I, Molins E, Espinosa E. Alkorta I, et al. Among authors: espinosa e. Chemistry. 2016 Jun 27;22(27):9226-34. doi: 10.1002/chem.201600788. Epub 2016 May 25. Chemistry. 2016. PMID: 27225820

5

Kinetic control in the chiral recognition of three-bladed propellers.

Bonnot C, Aubert E, Banerji N, Lacour J, Espinosa E, Chambron JC. Bonnot C, et al. Among authors: espinosa e. Chemistry. 2010 May 17;16(19):5706-11. doi: 10.1002/chem.200903058. Chemistry. 2010. PMID: 20391569 Free article.

6

Universal features of the electron density distribution in hydrogen-bonding regions: a comprehensive study involving H...X (X=H, C, N, O, F, S, Cl, pi) interactions.

Mata I, Alkorta I, Molins E, Espinosa E. Mata I, et al. Among authors: espinosa e. Chemistry. 2010 Feb 22;16(8):2442-52. doi: 10.1002/chem.200901628. Chemistry. 2010. PMID: 20077531

7

Polarization of Electron Density Databases of Transferable Multipolar Atoms.

Leduc T, Aubert E, Espinosa E, Jelsch C, Iordache C, Guillot B. Leduc T, et al. Among authors: espinosa e. J Phys Chem A. 2019 Aug 15;123(32):7156-7170. doi: 10.1021/acs.jpca.9b05051. Epub 2019 Aug 4. J Phys Chem A. 2019. PMID: 31294565

8

Periodic projector augmented wave density functional calculations on the hexachlorobenzene crystal and comparison with the experimental multipolar charge density model.

Aubert E, Lebègue S, Marsman M, Bui TT, Jelsch C, Dahaoui S, Espinosa E, Angyán JG. Aubert E, et al. Among authors: espinosa e. J Phys Chem A. 2011 Dec 22;115(50):14484-94. doi: 10.1021/jp206623x. Epub 2011 Nov 22. J Phys Chem A. 2011. PMID: 22040091

9

Triplet-triplet energy transfer controlled by the donor-acceptor distance in rigidly held palladium-containing cofacial bisporphyrins.

Faure S, Stern C, Espinosa E, Douville J, Guilard R, Harvey PD. Faure S, et al. Among authors: espinosa e. Chemistry. 2005 May 20;11(11):3469-81. doi: 10.1002/chem.200400990. Chemistry. 2005. PMID: 15812878

10

Computational studies of crystalline H3PO4.

Moss GR, Souhassou M, Blessing RH, Espinosa E, Lecomte C. Moss GR, et al. Among authors: espinosa e. Acta Crystallogr B. 1995 Oct 1;51 ( Pt 5):650-60. doi: 10.1107/s0108768194012851. Acta Crystallogr B. 1995. PMID: 7576373

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