On the different strength of photoacids

Absorption and Emission Spectral Shapes of a Prototype Dye in Water by Combining Classical/Dynamical and Quantum/Static Approaches

(2015) Alessio Petrone et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intrinsic and Dynamical Reaction Pathways of an Excited State Proton Transfer

(2015) Umberto Raucci et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparison of the rate of excited-state proton transfer from photoacids to alcohols and water

(2014) Ron Simkovitch et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

How Fast Can a Proton-Transfer Reaction Be beyond the Solvent-Control Limit?

(2014) Ron Simkovitch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Understanding THz and IR Signals beneath Time-Resolved Fluorescence from Excited-State Ab Initio Dynamics

(2014) Alessio Petrone et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics

(2014) Alessio Petrone et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory

(2014) Marika Savarese et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Excited-state proton transfer of photoexcited pyranine in water observed by femtosecond stimulated Raman spectroscopy

(2013) Fangyuan Han et al.   CHEMICAL PHYSICS

Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation

(2013) Francisco J. Avila Ferrer et al.   Journal of Chemical Theory and Computation

Early Time Excited-State Structural Evolution of Pyranine in Methanol Revealed by Femtosecond Stimulated Raman Spectroscopy

(2013) Yanli Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Exploring the Metric of Excited State Proton Transfer Reactions

(2013) Marika Savarese et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Excited-state proton coupled charge transfer modulated by molecular structure and media polarization

(2012) Alexander P. Demchenko et al.   CHEMICAL SOCIETY REVIEWS

Base-Induced Phototautomerization in 7-Hydroxy-4-(trifluoromethyl)coumarin

(2012) Brittany C. Westlake et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ultrafast Conformational Dynamics of Pyranine during Excited State Proton Transfer in Aqueous Solution Revealed by Femtosecond Stimulated Raman Spectroscopy

(2012) Weimin Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

“Donor–Two-Acceptor” Dye Design: A Distinct Gateway to NIR Fluorescence

(2012) Naama Karton-Lifshin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Vibrational analysis of x-ray absorption fine structure thermal factors by ab initio molecular dynamics: The Zn(II) ion in aqueous solution as a case study

(2011) Nadia Rega et al.   JOURNAL OF CHEMICAL PHYSICS

A Qualitative Index of Spatial Extent in Charge-Transfer Excitations

(2011) Tangui Le Bahers et al.   Journal of Chemical Theory and Computation

A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations

(2008) Giuseppe Brancato et al.   JOURNAL OF CHEMICAL PHYSICS

The excited states of π-stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution

(2008) Roberto Improta   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids

(2007) Denis Jacquemin et al.   Journal of Chemical Theory and Computation