Lesarri A - Search Results

1

How accurate is the determination of equilibrium structures for van der Waals complexes? The dimer N₂O⋯CO as an example.

Demaison J, Vogt N, Jin Y, Saragi RT, Juanes M, Lesarri A. Demaison J, et al. Among authors: lesarri a. J Chem Phys. 2021 May 21;154(19):194302. doi: 10.1063/5.0048603. J Chem Phys. 2021. PMID: 34240896

2

A rotational study of laser ablated thiourea.

Lesarri A, Mata S, Blanco S, Lopez JC, Alonso JL. Lesarri A, et al. J Chem Phys. 2004 Apr 1;120(13):6191-6. doi: 10.1063/1.1642585. J Chem Phys. 2004. PMID: 15267505

3

The conformational landscape of the volatile anesthetic sevoflurane.

Lesarri A, Vega-Toribio A, Suenram RD, Brugh DJ, Grabow JU. Lesarri A, et al. Phys Chem Chem Phys. 2010 Sep 7;12(33):9624-31. doi: 10.1039/c002123g. Epub 2010 May 27. Phys Chem Chem Phys. 2010. PMID: 20505891

4

Structural evidence of anomeric effects in the anesthetic isoflurane.

Lesarri A, Vega-Toribio A, Suenram RD, Brugh DJ, Nori-Shargh D, Boggs JE, Grabow JU. Lesarri A, et al. Phys Chem Chem Phys. 2011 Apr 14;13(14):6610-8. doi: 10.1039/c0cp02465a. Epub 2011 Mar 7. Phys Chem Chem Phys. 2011. PMID: 21384026 Free article.

5

Discriminating the structure of exo-2-aminonorbornane using nuclear quadrupole coupling interactions.

Écija P, Cocinero EJ, Lesarri A, Millán J, Basterretxea F, Fernández JA, Castaño F. Écija P, et al. Among authors: lesarri a. J Chem Phys. 2011 Apr 28;134(16):164311. doi: 10.1063/1.3583494. J Chem Phys. 2011. PMID: 21528964

6

Semiexperimental equilibrium structures for the equatorial conformers of N-methylpiperidone and tropinone by the mixed estimation method.

Demaison J, Craig NC, Cocinero EJ, Grabow JU, Lesarri A, Rudolph HD. Demaison J, et al. Among authors: lesarri a. J Phys Chem A. 2012 Aug 30;116(34):8684-92. doi: 10.1021/jp304178n. Epub 2012 Aug 20. J Phys Chem A. 2012. PMID: 22861349

7

Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method.

Demaison J, Jahn MK, Cocinero EJ, Lesarri A, Grabow JU, Guillemin JC, Rudolph HD. Demaison J, et al. Among authors: lesarri a. J Phys Chem A. 2013 Mar 14;117(10):2278-84. doi: 10.1021/jp400505v. Epub 2013 Mar 5. J Phys Chem A. 2013. PMID: 23425029

8

Accurate equilibrium structures for piperidine and cyclohexane.

Demaison J, Craig NC, Groner P, Écija P, Cocinero EJ, Lesarri A, Rudolph HD. Demaison J, et al. Among authors: lesarri a. J Phys Chem A. 2015 Mar 5;119(9):1486-93. doi: 10.1021/jp505765t. Epub 2014 Jul 16. J Phys Chem A. 2015. PMID: 25000518

9

The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations.

Vogt N, Demaison J, Cocinero EJ, Écija P, Lesarri A, Rudolph HD, Vogt J. Vogt N, et al. Among authors: lesarri a. Phys Chem Chem Phys. 2016 Jun 21;18(23):15555-63. doi: 10.1039/c6cp01842d. Epub 2016 May 23. Phys Chem Chem Phys. 2016. PMID: 27212641

10

N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine.

Vallejo-López M, Écija P, Vogt N, Demaison J, Lesarri A, Basterretxea FJ, Cocinero EJ. Vallejo-López M, et al. Among authors: lesarri a. Chemistry. 2017 Nov 21;23(65):16491-16496. doi: 10.1002/chem.201702232. Epub 2017 Oct 9. Chemistry. 2017. PMID: 28759141

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