Serrano-Andrés L - Search Results

1

Distinct photophysics of the isomers of B18H22 explained.

Londesborough MG, Hnyk D, Bould J, Serrano-Andrés L, Sauri V, Oliva JM, Kubát P, Polívka T, Lang K. Londesborough MG, et al. Among authors: serrano andres l. Inorg Chem. 2012 Feb 6;51(3):1471-9. doi: 10.1021/ic201726k. Epub 2012 Jan 6. Inorg Chem. 2012. PMID: 22224484

2

A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedral o-carboranes.

Oliva JM, Serrano-Andrés L. Oliva JM, et al. J Comput Chem. 2006 Mar;27(4):524-35. doi: 10.1002/jcc.20359. J Comput Chem. 2006. PMID: 16447172

3

On the deactivation mechanisms of adenine-thymine base pair.

Gobbo JP, Saurí V, Roca-Sanjuán D, Serrano-Andrés L, Merchán M, Borin AC. Gobbo JP, et al. Among authors: serrano andres l. J Phys Chem B. 2012 Apr 5;116(13):4089-97. doi: 10.1021/jp300583h. Epub 2012 Mar 26. J Phys Chem B. 2012. PMID: 22414119

4

A distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched ethene.

Schmalz TG, Serrano-Andrés L, Sauri V, Merchán M, Oliva JM. Schmalz TG, et al. Among authors: serrano andres l. J Chem Phys. 2011 Nov 21;135(19):194103. doi: 10.1063/1.3659294. J Chem Phys. 2011. PMID: 22112062

5

What Electronic Structures and Geometries of Carborane Mono- and ortho-, meta-, and para-Diradicals are Preferred?

Serrano-Andrés L, Klein DJ, Schleyer Pv, Oliva JM. Serrano-Andrés L, et al. J Chem Theory Comput. 2008 Aug;4(8):1338-47. doi: 10.1021/ct800150h. J Chem Theory Comput. 2008. PMID: 26631709

6

On the low-lying excited states of sym-triazine-based herbicides.

Oliva JM, Azenha ME, Burrows HD, Coimbra R, Seixas de Melo JS, Moisés Canle L, Fernández MI, Santaballa JA, Serrano-Andrés L. Oliva JM, et al. Chemphyschem. 2005 Feb;6(2):306-14. doi: 10.1002/cphc.200400349. Chemphyschem. 2005. PMID: 15751354

7

Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study.

Sauri V, Serrano-Andrés L, Shahi AR, Gagliardi L, Vancoillie S, Pierloot K. Sauri V, et al. J Chem Theory Comput. 2011 Jan 11;7(1):153-68. doi: 10.1021/ct100478d. Epub 2010 Dec 8. J Chem Theory Comput. 2011. PMID: 26606229

8

What Is the Limit of Atom Encapsulation for Icosahedral Carboranes?

Manero V, Oliva JM, Serrano-Andrés L, Klein DJ. Manero V, et al. J Chem Theory Comput. 2007 Jul;3(4):1399-404. doi: 10.1021/ct700042z. J Chem Theory Comput. 2007. PMID: 26633211

9

Proton/Hydrogen Transfer Mechanisms in the Guanine-Cytosine Base Pair: Photostability and Tautomerism.

Sauri V, Gobbo JP, Serrano-Pérez JJ, Lundberg M, Coto PB, Serrano-Andrés L, Borin AC, Lindh R, Merchán M, Roca-Sanjuán D. Sauri V, et al. Among authors: serrano andres l. J Chem Theory Comput. 2013 Jan 8;9(1):481-96. doi: 10.1021/ct3006166. Epub 2012 Nov 2. J Chem Theory Comput. 2013. PMID: 26589049

10

Combined theoretical and experimental study of the photophysics of asulam.

Giussani A, Pou-Amérigo R, Serrano-Andrés L, Freire-Corbacho A, Martínez-García C, Fernández P MI, Sarakha M, Canle L M, Santaballa JA. Giussani A, et al. Among authors: serrano andres l. J Phys Chem A. 2013 Mar 14;117(10):2125-37. doi: 10.1021/jp311932z. Epub 2013 Feb 27. J Phys Chem A. 2013. PMID: 23410081

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