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Simulation of ultrafast photodynamics of pyrrole with a multiconfigurational Ehrenfest method

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Phys. Chem. Chem. Phys., 2013, 15, 16227
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Photostability of amino acids: photodissociation dynamics of phenylalanine chromophores

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Phys. Chem. Chem. Phys., 2010, 12, 4989
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Excitation wavelength dependent S1-state decay dynamics of 2-aminopyridine and 3-aminopyridine

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Phys. Chem. Chem. Phys., 2023, 25, 17403
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Imaging the dynamics of gas phase reactions

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Conformer specific nonadiabatic reaction dynamics in the photodissociation of partially deuterated thioanisoles (C6H5S-CH2D and C6H5S-CHD2)

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Timescales of N–H bond dissociation in pyrrole: a nonadiabatic dynamics study

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Phys. Chem. Chem. Phys., 2015, 17, 19012
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On the possibility of enhanced multiple ionization near conical intersections

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Ultrafast decay dynamics of electronically excited 2-ethylpyrrole

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The role of πσ* states in the photochemistry of heteroaromatic biomolecules and their subunits: insights from gas-phase femtosecond spectroscopy

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Chem. Sci., 2014, 5, 1698
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High resolution photofragment translational spectroscopy studies of the near ultraviolet photolysis of 2,5-dimethylpyrrole

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Phys. Chem. Chem. Phys., 2006, 8, 599
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Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging

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Phys. Chem. Chem. Phys., 2015, 17, 3316
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Photodissociation of deuterated pyrrole–ammonia clusters: H-atom transfer or electron coupled proton transfer?

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Phys. Chem. Chem. Phys., 2024, 26, 14514
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Photodissociation and photoionization of pyrrole following the multiphoton excitation at 243 and 364.7 nm

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Probing ultrafast dynamics in photoexcited pyrrole: timescales for 1πσ* mediated H-atom elimination

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Faraday Discuss., 2013, 163, 95
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Near ultraviolet photolysis of deuterated pyrrole

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The position of the N atom in the pentacyclic ring of heterocyclic molecules affects the excited-state decay: A case study of isothiazole and thiazole

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Molecular Physics, 2009, 107, 845
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The Journal of Chemical Physics, 2011, 135
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The Journal of Chemical Physics, 2014, 141
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UV photodissociation of N-methylpyrrole: The role of 1πσ∗ states in non-hydride heteroaromatic systems

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Chemical Physics, 2008, 347, 300
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An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S conical intersection

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The Journal of Chemical Physics, 2017, 146
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Ultrafast internal conversion dynamics of highly excited pyrrole studied with VUV/UV pump probe spectroscopy

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The Journal of Chemical Physics, 2017, 146
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Non-radiative relaxation dynamics of pyrrole following excitation in the range 249.5–200 nm

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Pyrolysis of 3-Methoxypyridine. Detection and Characterization of the Pyrrolyl Radical by Threshold Photoelectron Spectroscopy

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Electron–Proton Decoupling in Excited‐State Hydrogen Atom Transfer in the Gas Phase

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Controlling the Photostability of Pyrrole with Optical Nanocavities

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Dynamics at conical intersections: The influence of O–H stretching vibrations on the photodissociation of phenol

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The Journal of Chemical Physics, 2008, 128
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Triplet Mediated C–N Dissociation versus Internal Conversion in Electronically Excited N-Methylpyrrole

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Photofragment Translational Spectroscopy Studies of H Atom Loss Following Ultraviolet Photoexcitation of Methimazole in the Gas Phase

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Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules

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The nonadiabatic deactivation paths of pyrrole

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The Journal of Chemical Physics, 2006, 125
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N–H and N–C Bond Dissociation Pathways in Ultraviolet Photodissociation of Dimethylamine

Peerapat Wangchingchai, Momiji Karino, Katsuyoshi Yamasaki and Hiroshi Kohguchi

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Ultrafast Evolution of Imidazole after Electronic Excitation

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Excited-state dissociation dynamics of phenol studied by a new time-resolved technique

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Simulation of the photodetachment spectrum of the pyrrolide anion

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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules

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Quantum tomography of molecules using ultrafast electron diffraction

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Femtosecond evolution of the pyrrole molecule excited in the near part of its UV spectrum

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Inversion of velocity map ion images using iterative regularization and cross validation

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Ground state structures and excited state dynamics of pyrrole-water complexes:Ab initioexcited state molecular dynamics simulations

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The Journal of Chemical Physics, 2008, 128
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Solving restricted open-shell equations in excited state molecular dynamics simulations

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Excited state dynamics in pyrrole–water clusters: First-principles simulation

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Chemical Physics, 2008, 343, 347
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Tracking the Relaxation of 2,5-Dimethylpyrrole by Femtosecond Time-Resolved Photoelectron and Photoion Detection

Virginia Ovejas, Raúl Montero, Marta Fernández-Fernández and Asier Longarte

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Dynamics starting at a conical intersection: Application to the photochemistry of pyrrole

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The Journal of Chemical Physics, 2009, 131
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Photofragment slice imaging studies of pyrrole and the Xe⋯pyrrole cluster

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The Journal of Chemical Physics, 2007, 127
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Electron–Proton Decoupling in Excited‐State Hydrogen Atom Transfer in the Gas Phase

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Effects of different initial condition samplings on photodynamics and spectrum of pyrrole

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Chemical Physics, 2010, 375, 26
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Excited state non-adiabatic dynamics of pyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

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The Journal of Chemical Physics, 2015, 142
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Caveats in the interpretation of time-resolved photoionization measurements: A photoelectron imaging study of pyrrole

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The Journal of Chemical Physics, 2016, 145
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Conical intersections and semiclassical trajectories: Comparison to accurate quantum dynamics and analyses of the trajectories

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A b initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach

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Chemical Physics, 2017, 493, 200
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Vibrationally mediated photodissociation dynamics of pyrrole

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The Position of the N Atom Plays a Significant Role for Excited-State Decay of Heterocycles

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Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole

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The Journal of Chemical Physics, 2017, 146
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Dynamics of Pyrroles Excited to the 3s/πσ* State

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The Journal of Chemical Physics, 2016, 145
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Effect of a Solid-Hydrogen Environment on UV-Induced Hydrogen-Atom Transfer in Matrix-Isolated Heterocyclic Thione Compounds

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Exploring the mechanisms of H atom loss in simple azoles: Ultraviolet photolysis of pyrazole and triazole

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An experimental study of low-pressure premixed pyrrole/oxygen/argon flames with tunable synchrotron photoionization

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Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics

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Capturing fingerprints of conical intersection: Complementary information of non-adiabatic dynamics from linear x-ray probes

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High resolution photofragment translational spectroscopy studies of the near ultraviolet photolysis of imidazole

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Three-Dimensional Diabatic Potential Energy Surfaces for the Photodissociation of Thiophenol

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Initial state-specific photodissociation dynamics of pyrrole via 1 π σ ∗/S 0 conical intersection initiated with optimally controlled UV-laser pulses

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The Role of πσ* Excited States in the Photodissociation of Heteroaromatic Molecules

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Distinct class of photoinduced hydrogen-atom-transfer processes: phototautomerizations in molecules with no intramolecular hydrogen bond in the structure

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Photoinduced multi-mode quantum dynamics of pyrrole at the π1σ∗– S0 conical intersections

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Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics at the π1σ*-S conical intersections

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The Journal of Chemical Physics, 2005, 123
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Simulation of the dynamics of vibrationally mediated photodissociation for deuterated pyrrole

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Rydberg-to-valence evolution in excited state molecular dynamics

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Ultrafast nonradiative dynamics in electronically excited hexafluorobenzene by femtosecond time-resolved mass spectrometry

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The Journal of Chemical Physics, 2008, 128
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A reinterpretation of the electronic spectrum of pyrrole: A quantum dynamics study

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The Journal of Chemical Physics, 2014, 140
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Fragmentation Dynamics of Size-Selected Pyrrole Clusters Prepared by Electron Impact Ionization: Forming a Solvated Dimer Ion Core

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Electronically Excited States of Neutral, Protonated α-Naphthol and Their Water Clusters: A Theoretical Study

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Femtosecond fluorescence up-conversion spectroscopy of adenine and adenosine: experimental evidence for the πσ* state?

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Chemical Physics, 2005, 313, 199
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Role of vibrational energy relaxation in the photoinduced nonadiabatic dynamics of pyrrole at the conical intersection

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Chemical Physics, 2008, 350, 125
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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy

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State-selective predissociation dynamics of methylamines: The vibronic and H∕D effects on the conical intersection dynamics

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The Journal of Chemical Physics, 2008, 128
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Ultrafast Dissociation Dynamics of 2-Ethylpyrrole

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Ultrafast Excited-State Dynamics of 2,4-Dimethylpyrrole

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Photodissociation Dynamics of N-Methylindole, N-Methylpyrrole, and Anisole

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Photodissociation Dynamics of Thiophenol-d1: The Nature of Excited Electronic States along the S−D Bond Dissociation Coordinate

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UV Photodissociation of Pyrroles: Symmetry and Substituent Effects

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Ultraviolet photolysis of adenine: Dissociation via the π1σ* state

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Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

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Structure and dynamic role of conical intersections in the πσ*-mediated photodissociation reactions

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Electron-proton transfer mechanism of excited-state hydrogen transfer in phenol−(NH3) (n = 5) studied by delayed ionization detected femtosecond time-resolved NIR spectroscopy

Mitsuhiko Miyazaki, Nozomi Washio and Masaaki Fujii

Chemical Physics, 2018, 515, 580
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