Sánchez ML - Search Results

1

Theoretical study of solvent effects on the ground and low-lying excited free energy surfaces of a push-pull substituted azobenzene.

Corchado JC, Sánchez ML, Fdez Galván I, Martín ME, Muñoz-Losa A, Barata-Morgado R, Aguilar MA. Corchado JC, et al. Among authors: sanchez ml. J Phys Chem B. 2014 Oct 30;118(43):12518-30. doi: 10.1021/jp506876v. Epub 2014 Oct 20. J Phys Chem B. 2014. PMID: 25296001

2

Importance of anharmonicity, recrossing effects, and quantum mechanical tunneling in transition state theory with semiclassical tunneling. A test case: the H2 + Cl hydrogen abstraction reaction.

Sansón JA, Sánchez ML, Corchado JC. Sansón JA, et al. Among authors: sanchez ml. J Phys Chem A. 2006 Jan 19;110(2):589-99. doi: 10.1021/jp052849d. J Phys Chem A. 2006. PMID: 16405331

3

Substituent and solvent effects on the UV-vis absorption spectrum of the photoactive yellow protein chromophore.

García-Prieto FF, Aguilar MA, Galván IF, Muñoz-Losa A, Olivares del Valle FJ, Sánchez ML, Martín ME. García-Prieto FF, et al. Among authors: sanchez ml. J Phys Chem A. 2015 May 28;119(21):5504-14. doi: 10.1021/acs.jpca.5b01434. Epub 2015 May 6. J Phys Chem A. 2015. PMID: 25910511

4

Solvent effects on internal conversions and intersystem crossings: the radiationless de-excitation of acrolein in water.

Losa AM, Galvan IF, Sanchez ML, Martín ME, Aguilar MA. Losa AM, et al. Among authors: sanchez ml. J Phys Chem B. 2008 Jan 24;112(3):877-84. doi: 10.1021/jp075706v. Epub 2007 Dec 22. J Phys Chem B. 2008. PMID: 18154281

5

How Methylation Modifies the Photophysics of the Native All- trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol.

Barata-Morgado R, Sánchez ML, Muñoz-Losa A, Martín ME, Olivares Del Valle FJ, Aguilar MA. Barata-Morgado R, et al. Among authors: sanchez ml. J Phys Chem A. 2018 Mar 22;122(11):3096-3106. doi: 10.1021/acs.jpca.8b00773. Epub 2018 Mar 12. J Phys Chem A. 2018. PMID: 29489369

6

A new QM/MM method oriented to the study of ionic liquids.

Sánchez ML, Corchado JC, Martín ME, Galván IF, Barata-Morgado R, Aguilar MA. Sánchez ML, et al. J Comput Chem. 2015 Sep 30;36(25):1893-901. doi: 10.1002/jcc.24023. Epub 2015 Jul 24. J Comput Chem. 2015. PMID: 26213207

7

Solvent Effects on the Structure and Spectroscopy of the Emitting States of 1-Phenylpyrrole.

Fdez Galván I, Martín ME, Muñoz-Losa A, Sánchez ML, Aguilar MA. Fdez Galván I, et al. Among authors: sanchez ml. J Chem Theory Comput. 2011 Jun 14;7(6):1850-7. doi: 10.1021/ct2001182. Epub 2011 Apr 29. J Chem Theory Comput. 2011. PMID: 26596446

8

Solvent Effects on the Radiative and Nonradiative Decay of a Model of the Rhodopsin Chromophore.

Muñoz-Losa A, Martín ME, Galván IF, Sánchez ML, Aguilar MA. Muñoz-Losa A, et al. Among authors: sanchez ml. J Chem Theory Comput. 2011 Dec 13;7(12):4050-9. doi: 10.1021/ct200295r. Epub 2011 Nov 22. J Chem Theory Comput. 2011. PMID: 26598350

9

QM/MM Study of Substituent and Solvent Effects on the Excited State Dynamics of the Photoactive Yellow Protein Chromophore.

García-Prieto FF, Muñoz-Losa A, Fdez Galván I, Sánchez ML, Aguilar MA, Martín ME. García-Prieto FF, et al. Among authors: sanchez ml. J Chem Theory Comput. 2017 Feb 14;13(2):737-748. doi: 10.1021/acs.jctc.6b01069. Epub 2017 Jan 26. J Chem Theory Comput. 2017. PMID: 28072537

10

Theoretical study of the relative stability of rotational conformers of alpha and beta-D-glucopyranose in gas phase and aqueous solution.

Corchado JC, Sánchez ML, Aguilar MA. Corchado JC, et al. Among authors: sanchez ml. J Am Chem Soc. 2004 Jun 16;126(23):7311-9. doi: 10.1021/ja0398767. J Am Chem Soc. 2004. PMID: 15186168

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

240 results

Search Page

Filters