Mennucci B - Search Results

1

Excited-State Decay Pathways of Molecular Rotors: Twisted Intermediate or Conical Intersection?

Suhina T, Amirjalayer S, Mennucci B, Woutersen S, Hilbers M, Bonn D, Brouwer AM. Suhina T, et al. Among authors: mennucci b. J Phys Chem Lett. 2016 Nov 3;7(21):4285-4290. doi: 10.1021/acs.jpclett.6b02277. Epub 2016 Oct 17. J Phys Chem Lett. 2016. PMID: 27736089

2

Solvation dynamics in acetonitrile: a study incorporating solute electronic response and nuclear relaxation.

Ingrosso F, Ladanyi BM, Mennucci B, Elola MD, Tomasi J. Ingrosso F, et al. Among authors: mennucci b. J Phys Chem B. 2005 Mar 3;109(8):3553-64. doi: 10.1021/jp0456032. J Phys Chem B. 2005. PMID: 16851393

3

How to model solvation of peptides? Insights from a quantum mechanical and molecular dynamics study of N-methylacetamide. 2. 15N and 17O nuclear shielding in water and in acetone.

Mennucci B, Martínez JM. Mennucci B, et al. J Phys Chem B. 2005 May 19;109(19):9830-8. doi: 10.1021/jp050035r. J Phys Chem B. 2005. PMID: 16852183

4

Towards a molecular scale interpretation of excitation energy transfer in solvated bichromophoric systems. II. The through-bond contribution.

Russo V, Curutchet C, Mennucci B. Russo V, et al. Among authors: mennucci b. J Phys Chem B. 2007 Feb 1;111(4):853-63. doi: 10.1021/jp064603u. J Phys Chem B. 2007. PMID: 17249829

5

How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media.

Mennucci B, Caricato M, Ingrosso F, Cappelli C, Cammi R, Tomasi J, Scalmani G, Frisch MJ. Mennucci B, et al. J Phys Chem B. 2008 Jan 17;112(2):414-23. doi: 10.1021/jp076138m. Epub 2007 Nov 16. J Phys Chem B. 2008. PMID: 18004838

6

What is solvatochromism?

Marini A, Muñoz-Losa A, Biancardi A, Mennucci B. Marini A, et al. Among authors: mennucci b. J Phys Chem B. 2010 Dec 30;114(51):17128-35. doi: 10.1021/jp1097487. Epub 2010 Dec 3. J Phys Chem B. 2010. PMID: 21128657

7

Integrated NMR and computational study of push-pull NLO probes: interplay of solvent and structural effects.

Marini A, Macchi S, Jurinovich S, Catalano D, Mennucci B. Marini A, et al. Among authors: mennucci b. J Phys Chem A. 2011 Sep 8;115(35):10035-44. doi: 10.1021/jp203864a. Epub 2011 Aug 18. J Phys Chem A. 2011. PMID: 21797250

8

Excitation energy transfer in donor-bridge-acceptor systems: a combined quantum-mechanical/classical analysis of the role of the bridge and the solvent.

Caprasecca S, Mennucci B. Caprasecca S, et al. Among authors: mennucci b. J Phys Chem A. 2014 Aug 21;118(33):6484-91. doi: 10.1021/jp502815r. Epub 2014 May 6. J Phys Chem A. 2014. PMID: 24766609

9

Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects?

Cupellini L, Amovilli C, Mennucci B. Cupellini L, et al. Among authors: mennucci b. J Phys Chem B. 2015 Jul 23;119(29):8984-91. doi: 10.1021/jp507962n. Epub 2014 Oct 10. J Phys Chem B. 2015. PMID: 25302770

10

Plasmon enhanced light harvesting: multiscale modeling of the FMO protein coupled with gold nanoparticles.

Andreussi O, Caprasecca S, Cupellini L, Guarnetti-Prandi I, Guido CA, Jurinovich S, Viani L, Mennucci B. Andreussi O, et al. Among authors: mennucci b. J Phys Chem A. 2015 May 28;119(21):5197-206. doi: 10.1021/jp509870b. Epub 2014 Dec 5. J Phys Chem A. 2015. PMID: 25419640

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