Espinosa E - Search Results

1

Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.

Mata I, Espinosa E, Molins E, Veintemillas S, Maniukiewicz W, Lecomte C, Cousson A, Paulus W. Mata I, et al. Among authors: espinosa e. Acta Crystallogr A. 2006 Sep;62(Pt 5):365-78. doi: 10.1107/S0108767306025141. Epub 2006 Aug 23. Acta Crystallogr A. 2006. PMID: 16926485

2

Topological analysis of the electron density in hydrogen bonds.

Espinosa E, Souhassou M, Lachekar H, Lecomte C. Espinosa E, et al. Acta Crystallogr B. 1999 Aug 1;55(Pt 4):563-572. doi: 10.1107/s0108768199002128. Acta Crystallogr B. 1999. PMID: 10927398

3

Topological properties of the electrostatic potential in weak and moderate N...H hydrogen bonds.

Mata I, Molins E, Alkorta I, Espinosa E. Mata I, et al. Among authors: espinosa e. J Phys Chem A. 2007 Jul 19;111(28):6425-33. doi: 10.1021/jp071924c. Epub 2007 Jun 21. J Phys Chem A. 2007. PMID: 17583329

4

Zero-flux surfaces of the electrostatic potential: the border of influence zones of nucleophilic and electrophilic sites in crystalline environment.

Mata I, Molins E, Espinosa E. Mata I, et al. Among authors: espinosa e. J Phys Chem A. 2007 Oct 4;111(39):9859-70. doi: 10.1021/jp074032l. Epub 2007 Aug 30. J Phys Chem A. 2007. PMID: 17727276

5

Effect of an external electric field on the dissociation energy and the electron density properties: The case of the hydrogen bonded dimer HF...HF.

Mata I, Molins E, Alkorta I, Espinosa E. Mata I, et al. Among authors: espinosa e. J Chem Phys. 2009 Jan 28;130(4):044104. doi: 10.1063/1.3065972. J Chem Phys. 2009. PMID: 19191374 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

Tuning the interaction energy of hydrogen bonds: the effect of the substituent.

Mata I, Molins E, Alkorta I, Espinosa E. Mata I, et al. Among authors: espinosa e. J Phys Chem A. 2011 Nov 17;115(45):12561-71. doi: 10.1021/jp202917z. Epub 2011 Jun 21. J Phys Chem A. 2011. PMID: 21692491

8

The paradox of hydrogen-bonded anion-anion aggregates in oxoanions: a fundamental electrostatic problem explained in terms of electrophilic···nucleophilic interactions.

Mata I, Molins E, Alkorta I, Espinosa E. Mata I, et al. Among authors: espinosa e. J Phys Chem A. 2015 Jan 8;119(1):183-94. doi: 10.1021/jp510198g. Epub 2014 Dec 26. J Phys Chem A. 2015. PMID: 25495236

9

Electrostatics at the origin of the stability of phosphate-phosphate complexes locked by hydrogen bonds.

Mata I, Alkorta I, Molins E, Espinosa E. Mata I, et al. Among authors: espinosa e. Chemphyschem. 2012 Apr 23;13(6):1421-4. doi: 10.1002/cphc.201200068. Epub 2012 Mar 7. Chemphyschem. 2012. PMID: 22407787

10

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

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