Dynamics of anions: from bound to unbound states and everything In between
Gas-phase anions present an ideal playground for the exploration of excited-state dynamics.
They offer control in terms of the mass, extent of solvation, internal temperature, and …
They offer control in terms of the mass, extent of solvation, internal temperature, and …
Anion photoelectron spectroscopy of protein chromophores
Photoactive proteins that efficiently and selectively transfer light energy into a physical
response are ubiquitous in nature. The small molecule chromophores that lie at the heart of …
response are ubiquitous in nature. The small molecule chromophores that lie at the heart of …
Chemical control of excited-state reactivity of the anionic green fluorescent protein chromophore
Controlling excited-state reactivity is a long-standing challenge in photochemistry, as a
desired pathway may be inaccessible or compete with other unwanted channels. An …
desired pathway may be inaccessible or compete with other unwanted channels. An …
Wavelength dependent mechanism of phenolate photooxidation in aqueous solution
Phenolate photooxidation is integral to a range of biological processes, yet the mechanism
of electron ejection has been disputed. Here, we combine femtosecond transient absorption …
of electron ejection has been disputed. Here, we combine femtosecond transient absorption …
Role of nonvalence states in the ultrafast dynamics of isolated anions
Nonvalence states of neutral molecules (Rydberg states) play important roles in
nonadiabatic dynamics of excited states. In anions, such nonadiabatic transitions between …
nonadiabatic dynamics of excited states. In anions, such nonadiabatic transitions between …
New-generation electron-propagator methods for vertical electron detachment energies of molecular anions: benchmarks and applications to model green-fluorescent …
Ab initio electron-propagator calculations continue to be useful companions to experimental
investigations of electronic structure in molecular anions. A new generation of electron …
investigations of electronic structure in molecular anions. A new generation of electron …
Photoelectron Spectroscopy of the Hexafluorobenzene Cluster Anions: (C6F6)n– (n = 1–5) and I–(C6F6)
Frequency-resolved (2D) photoelectron (PE) spectra of the anionic clusters (C6F6) n–, for n=
1–5, and time-resolved PE spectra of I–C6F6 are presented using a newly built instrument …
1–5, and time-resolved PE spectra of I–C6F6 are presented using a newly built instrument …
UV‐vis spectroscopy of gas‐phase ions
F Tureček - Mass Spectrometry Reviews, 2023 - Wiley Online Library
Photodissociation action spectroscopy has made a great progress in expanding
investigations of gas‐phase ion structures. This review deals with aspects of gas‐phase ion …
investigations of gas‐phase ion structures. This review deals with aspects of gas‐phase ion …
Analytical Gradient Theory for Quasidegenerate N-Electron Valence State Perturbation Theory (QD-NEVPT2)
JW Park - Journal of chemical theory and computation, 2019 - ACS Publications
Analytical nuclear gradient and derivative coupling theories for the quasidegenerate N-
electron valence state perturbation theory using state-averaged orbitals and density …
electron valence state perturbation theory using state-averaged orbitals and density …
Cryogenic ion spectroscopy of the green fluorescent protein chromophore in vacuo
We present the spectrum of the S1← S0 transition of an anionic model for the chromophore
of the green fluorescent protein in vacuo at cryogenic temperatures, showing previously …
of the green fluorescent protein in vacuo at cryogenic temperatures, showing previously …