Roca-Sanjuán D - Search Results

1

Chemi- and Bioluminescence of Cyclic Peroxides.

Vacher M, Fdez Galván I, Ding BW, Schramm S, Berraud-Pache R, Naumov P, Ferré N, Liu YJ, Navizet I, Roca-Sanjuán D, Baader WJ, Lindh R. Vacher M, et al. Chem Rev. 2018 Aug 8;118(15):6927-6974. doi: 10.1021/acs.chemrev.7b00649. Epub 2018 Mar 1. Chem Rev. 2018. PMID: 29493234 Review.

2

The chemistry of bioluminescence: an analysis of chemical functionalities.

Navizet I, Liu YJ, Ferré N, Roca-Sanjuán D, Lindh R. Navizet I, et al. Chemphyschem. 2011 Dec 9;12(17):3064-76. doi: 10.1002/cphc.201100504. Epub 2011 Oct 13. Chemphyschem. 2011. PMID: 21997887 Review.

3

Comment on "Density functional theory study of 1,2-dioxetanone decomposition in condensed phase".

Roca-Sanjuán D, Lundberg M, Mazziotti DA, Lindh R. Roca-Sanjuán D, et al. J Comput Chem. 2012 Oct 5;33(26):2124-6; author reply 2127-30. doi: 10.1002/jcc.23040. Epub 2012 Jun 13. J Comput Chem. 2012. PMID: 22696241

4

Are the bio- and chemiluminescence states of the firefly oxyluciferin the same as the fluorescence state?

Navizet I, Roca-Sanjuán D, Yue L, Liu YJ, Ferré N, Lindh R. Navizet I, et al. Photochem Photobiol. 2013 Mar-Apr;89(2):319-25. doi: 10.1111/php.12007. Epub 2012 Dec 17. Photochem Photobiol. 2013. PMID: 23057607

5

On the photophysics and photochemistry of the water dimer.

Segarra-Martí J, Roca-Sanjuán D, Merchán M, Lindh R. Segarra-Martí J, et al. J Chem Phys. 2012 Dec 28;137(24):244309. doi: 10.1063/1.4772187. J Chem Phys. 2012. PMID: 23277938

6

A surface hopping algorithm for nonadiabatic minimum energy path calculations.

Schapiro I, Roca-Sanjuán D, Lindh R, Olivucci M. Schapiro I, et al. J Comput Chem. 2015 Feb 15;36(5):312-20. doi: 10.1002/jcc.23805. Epub 2015 Jan 6. J Comput Chem. 2015. PMID: 25564760

7

Theoretical study of the dark photochemistry of 1,3-butadiene via the chemiexcitation of Dewar dioxetane.

Farahani P, Lundberg M, Lindh R, Roca-Sanjuán D. Farahani P, et al. Phys Chem Chem Phys. 2015 Jul 28;17(28):18653-64. doi: 10.1039/c5cp02269j. Phys Chem Chem Phys. 2015. PMID: 26119390 Free article.

8

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. 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

9

Chemiluminescence of Coelenterazine and Fluorescence of Coelenteramide: A Systematic Theoretical Study.

Chen SF, Navizet I, Roca-Sanjuán D, Lindh R, Liu YJ, Ferré N. Chen SF, et al. J Chem Theory Comput. 2012 Aug 14;8(8):2796-807. doi: 10.1021/ct300356j. Epub 2012 Jul 23. J Chem Theory Comput. 2012. PMID: 26592121

10

Revisiting the Nonadiabatic Process in 1,2-Dioxetane.

Farahani P, Roca-Sanjuán D, Zapata F, Lindh R. Farahani P, et al. J Chem Theory Comput. 2013 Dec 10;9(12):5404-11. doi: 10.1021/ct4007844. Epub 2013 Nov 22. J Chem Theory Comput. 2013. PMID: 26592278

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