Polarizable continuum model
B Mennucci - Wiley Interdisciplinary Reviews: Computational …, 2012 - Wiley Online Library
The polarizable continuum model (PCM) is a computational method originally formulated 30
years ago but still today it represents one of the most successful examples among …
years ago but still today it represents one of the most successful examples among …
Theoretical studies of plasmonics using electronic structure methods
SM Morton, DW Silverstein, L Jensen - Chemical reviews, 2011 - ACS Publications
There has been a great interest in understanding the interactions between light and noble
metal nanoparticles ever since Michael Faraday's study of the ruby-red color of colloidal …
metal nanoparticles ever since Michael Faraday's study of the ruby-red color of colloidal …
Distance and plasmon wavelength dependent fluorescence of molecules bound to silica-coated gold nanorods
Plasmonic nanoparticles can strongly interact with adjacent fluorophores, resulting in
plasmon-enhanced fluorescence or fluorescence quenching. This dipolar coupling is …
plasmon-enhanced fluorescence or fluorescence quenching. This dipolar coupling is …
Plasmonic fluorescence enhancement by metal nanostructures: shaping the future of bionanotechnology
This review focuses on metal enhanced fluorescence (MEF) and its current and future
applications in biotechnology. The mechanisms of MEF are discussed in terms of the …
applications in biotechnology. The mechanisms of MEF are discussed in terms of the …
Multiscale modelling of photoinduced processes in composite systems
B Mennucci, S Corni - Nature Reviews Chemistry, 2019 - nature.com
In the past few decades, quantum mechanical (QM) modelling has moved from isolated
molecules made of few atoms to large supramolecular aggregates embedded in complex …
molecules made of few atoms to large supramolecular aggregates embedded in complex …
QM/Classical modeling of surface enhanced Raman scattering based on atomistic electromagnetic models
We present quantum mechanics (QM)/frequency dependent fluctuating charge (QM/ωFQ)
and fluctuating dipoles (QM/ωFQFμ) multiscale approaches to model surface-enhanced …
and fluctuating dipoles (QM/ωFQFμ) multiscale approaches to model surface-enhanced …
Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional …
This paper provides an overview of recent research activities concerning the quantum-
mechanical description of structures and properties of electronically excited chromophores …
mechanical description of structures and properties of electronically excited chromophores …
Continuum solvation models: What else can we learn from them?
B Mennucci - The Journal of Physical Chemistry Letters, 2010 - ACS Publications
Molecular modeling is nowadays a well-established analytical tool exactly as
spectroscopies or other experimental methodologies, and we expect that its impact on many …
spectroscopies or other experimental methodologies, and we expect that its impact on many …
A hybrid atomistic electrodynamics–quantum mechanical approach for simulating surface-enhanced Raman scattering
JL Payton, SM Morton, JE Moore… - Accounts of Chemical …, 2014 - ACS Publications
Surface-enhanced Raman scattering (SERS) is a technique that has broad implications for
biological and chemical sensing applications by providing the ability to simultaneously …
biological and chemical sensing applications by providing the ability to simultaneously …
Artefact-free evaluation of metal enhanced fluorescence in silica coated gold nanoparticles
T Ribeiro, C Baleizão, JPS Farinha - Scientific reports, 2017 - nature.com
Metal nanoparticles can either quench or enhance the emission of dyes in their vicinity, but
the precise measurement and understanding of this effect is still hindered by experimental …
the precise measurement and understanding of this effect is still hindered by experimental …