Mendive-Tapia D - Search Results

1

Rational Design of Phe-BODIPY Amino Acids as Fluorogenic Building Blocks for Peptide-Based Detection of Urinary Tract Candida Infections.

Mendive-Tapia L, Mendive-Tapia D, Zhao C, Gordon D, Benson S, Bromley MJ, Wang W, Wu J, Kopp A, Ackermann L, Vendrell M. Mendive-Tapia L, et al. Among authors: mendive tapia d. Angew Chem Int Ed Engl. 2022 Apr 19;61(17):e202117218. doi: 10.1002/anie.202117218. Epub 2022 Feb 26. Angew Chem Int Ed Engl. 2022. PMID: 35075763 Free PMC article.

2

Regularizing the MCTDH equations of motion through an optimal choice on-the-fly (i.e., spawning) of unoccupied single-particle functions.

Mendive-Tapia D, Meyer HD. Mendive-Tapia D, et al. J Chem Phys. 2020 Dec 21;153(23):234114. doi: 10.1063/5.0035581. J Chem Phys. 2020. PMID: 33353345

3

Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes: The Role of Initial Bath Conditions.

Mendive-Tapia D, Mangaud E, Firmino T, de la Lande A, Desouter-Lecomte M, Meyer HD, Gatti F. Mendive-Tapia D, et al. J Phys Chem B. 2018 Jan 11;122(1):126-136. doi: 10.1021/acs.jpcb.7b10412. Epub 2017 Dec 28. J Phys Chem B. 2018. PMID: 29216421

4

Quantum effects in ultrafast electron transfers within cryptochromes.

Firmino T, Mangaud E, Cailliez F, Devolder A, Mendive-Tapia D, Gatti F, Meier C, Desouter-Lecomte M, de la Lande A. Firmino T, et al. Among authors: mendive tapia d. Phys Chem Chem Phys. 2016 Aug 21;18(31):21442-57. doi: 10.1039/c6cp02809h. Epub 2016 Jul 18. Phys Chem Chem Phys. 2016. PMID: 27427185 Free article.

5

Towards converging non-adiabatic direct dynamics calculations using frozen-width variational gaussian product basis functions.

Mendive-Tapia D, Lasorne B, Worth GA, Robb MA, Bearpark MJ. Mendive-Tapia D, et al. J Chem Phys. 2012 Dec 14;137(22):22A548. doi: 10.1063/1.4765087. J Chem Phys. 2012. PMID: 23249085

6

Electron dynamics upon ionization: control of the timescale through chemical substitution and effect of nuclear motion.

Vacher M, Mendive-Tapia D, Bearpark MJ, Robb MA. Vacher M, et al. J Chem Phys. 2015 Mar 7;142(9):094105. doi: 10.1063/1.4913515. J Chem Phys. 2015. PMID: 25747059 Free article.

7

Accidental degeneracy in the spiropyran radical cation: charge transfer between two orthogonal rings inducing ultra-efficient reactivity.

Mendive-Tapia D, Kortekaas L, Steen JD, Perrier A, Lasorne B, Browne WR, Jacquemin D. Mendive-Tapia D, et al. Phys Chem Chem Phys. 2016 Nov 16;18(45):31244-31253. doi: 10.1039/c6cp06907j. Phys Chem Chem Phys. 2016. PMID: 27819106

8

Electronic control of initial nuclear dynamics adjacent to a conical intersection.

Vacher M, Meisner J, Mendive-Tapia D, Bearpark MJ, Robb MA. Vacher M, et al. J Phys Chem A. 2015 May 28;119(21):5165-72. doi: 10.1021/jp509774t. Epub 2014 Dec 18. J Phys Chem A. 2015. PMID: 25466408

9

New insights into the by-product fatigue mechanism of the photo-induced ring-opening in diarylethenes.

Mendive-Tapia D, Perrier A, Bearpark MJ, Robb MA, Lasorne B, Jacquemin D. Mendive-Tapia D, et al. Phys Chem Chem Phys. 2014 Sep 14;16(34):18463-71. doi: 10.1039/c4cp03001j. Phys Chem Chem Phys. 2014. PMID: 25069429

10

N-confused porphyrin tautomers: lessons from density functional theory.

Marchand G, Roy H, Mendive-Tapia D, Jacquemin D. Marchand G, et al. Phys Chem Chem Phys. 2015 Feb 21;17(7):5290-7. doi: 10.1039/c4cp05158k. Phys Chem Chem Phys. 2015. PMID: 25607586

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