Schapiro I - Search Results

1

Merocyanines form bacteriorhodopsins with strongly bathochromic absorption maxima.

Mackintosh MJ, Hoischen D, Martin HD, Schapiro I, Gärtner W. Mackintosh MJ, et al. Among authors: schapiro i. Photochem Photobiol Sci. 2024 Jan;23(1):31-53. doi: 10.1007/s43630-023-00496-0. Epub 2023 Dec 9. Photochem Photobiol Sci. 2024. PMID: 38070056

2

Toward an understanding of the retinal chromophore in rhodopsin mimics.

Huntress MM, Gozem S, Malley KR, Jailaubekov AE, Vasileiou C, Vengris M, Geiger JH, Borhan B, Schapiro I, Larsen DS, Olivucci M. Huntress MM, et al. Among authors: schapiro i. J Phys Chem B. 2013 Sep 5;117(35):10053-70. doi: 10.1021/jp305935t. Epub 2013 Aug 26. J Phys Chem B. 2013. PMID: 23971945

3

Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles.

Estrada LA, Francés-Monerris A, Schapiro I, Olivucci M, Roca-Sanjuán D. Estrada LA, et al. Among authors: schapiro i. Phys Chem Chem Phys. 2016 Dec 7;18(48):32786-32795. doi: 10.1039/c6cp05231b. Phys Chem Chem Phys. 2016. PMID: 27878166

4

Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies.

Schapiro I, Sivalingam K, Neese F. Schapiro I, et al. J Chem Theory Comput. 2013 Aug 13;9(8):3567-80. doi: 10.1021/ct400136y. Epub 2013 Jul 31. J Chem Theory Comput. 2013. PMID: 26584112

5

Bond torsion affects the product distribution in the photoreaction of retinal model chromophores.

Weingart O, Schapiro I, Buss V. Weingart O, et al. Among authors: schapiro i. J Mol Model. 2006 Jul;12(5):713-21. doi: 10.1007/s00894-005-0040-8. Epub 2005 Nov 10. J Mol Model. 2006. PMID: 16283119

6

Bicycle-pedal isomerization in a rhodopsin chromophore model.

Schapiro I, Weingart O, Buss V. Schapiro I, et al. J Am Chem Soc. 2009 Jan 14;131(1):16-7. doi: 10.1021/ja805586z. J Am Chem Soc. 2009. PMID: 19072155

7

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

8

Different hydrogen bonding environments of the retinal protonated Schiff base control the photoisomerization in channelrhodopsin-2.

Guo Y , Wolff FE , Schapiro I , Elstner M , Marazzi M . Guo Y , et al. Among authors: schapiro i. Phys Chem Chem Phys. 2018 Nov 7;20(43):27501-27509. doi: 10.1039/c8cp05210g. Phys Chem Chem Phys. 2018. PMID: 30362495

9

A conical intersection controls the deactivation of the bacterial luciferase fluorophore.

Gozem S, Mirzakulova E, Schapiro I, Melaccio F, Glusac KD, Olivucci M. Gozem S, et al. Among authors: schapiro i. Angew Chem Int Ed Engl. 2014 Sep 8;53(37):9870-5. doi: 10.1002/anie.201404011. Epub 2014 Jul 14. Angew Chem Int Ed Engl. 2014. PMID: 25045117

10

Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model.

Huix-Rotllant M, Filatov M, Gozem S, Schapiro I, Olivucci M, Ferré N. Huix-Rotllant M, et al. Among authors: schapiro i. J Chem Theory Comput. 2013 Sep 10;9(9):3917-32. doi: 10.1021/ct4003465. Epub 2013 Aug 13. J Chem Theory Comput. 2013. PMID: 26592387

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