Ultrafast Ring-Opening Reaction of 1,3-Cyclohexadiene: Identification of Nonadiabatic Pathway via Doubly Excited State

Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening

(2020) Shashank Pathak et al.   Nature Chemistry

Geodesic interpolation for reaction pathways

(2019) Xiaolei Zhu et al.   JOURNAL OF CHEMICAL PHYSICS

The photochemical ring-opening of 1,3-cyclohexadiene imaged by ultrafast electron diffraction

(2019) T. J. A. Wolf et al.   Nature Chemistry

Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping

(2019) Iakov Polyak et al.   Journal of Chemical Theory and Computation

Binding energy of solvated electrons and retrieval of true UV photoelectron spectra of liquids

(2019) Junichi Nishitani et al.   Science Advances

A deep UV trigger for ground-state ring-opening dynamics of 1,3-cyclohexadiene

(2019) Jennifer M. Ruddock et al.   Science Advances

Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision

(2018) C. Schnedermann et al.   Nature Chemistry

Effects of probe energy and competing pathways on time-resolved photoelectron spectroscopy: the ring-opening of 1,3-cyclohexadiene

(2018) Maria Tudorovskaya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method

(2018) Michael Filatov et al.   MOLECULAR PHYSICS

Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction

(2017) Andrew R. Attar et al.   SCIENCE

Photo-induced 1,3-cyclohexadiene ring opening reaction: Ab initio on-the-fly nonadiabatic molecular dynamics simulation

(2016) Yibo Lei et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Cyclohexadiene Revisited: A Time-Resolved Photoelectron Spectroscopy and ab Initio Study

(2016) Oliver Schalk et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Supercontinuum generation in a multi-plate medium

(2016) Yu-Chen Cheng et al.   OPTICS EXPRESS

Nonadiabatic ab initio molecular dynamics of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene

(2015) Ayumi Ohta et al.   CHEMICAL PHYSICS

From the (1B) Spectroscopic State to the Photochemical Product of the Ultrafast Ring-Opening of 1,3-Cyclohexadiene: A Spectral Observation of the Complete Reaction Path

(2015) Christine C. Pemberton et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Direct Observation of Ground-State Product Formation in a 1,3-Cyclohexadiene Ring-Opening Reaction

(2015) Shunsuke Adachi et al.   Journal of Physical Chemistry Letters

Local vibrational coherences drive the primary photochemistry of vision

(2015) Philip J. M. Johnson et al.   Nature Chemistry

Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction

(2015) M. P. Minitti et al.   PHYSICAL REVIEW LETTERS

Time-resolved photoelectron imaging spectra from non-adiabatic molecular dynamics simulations

(2013) Alexander Humeniuk et al.   JOURNAL OF CHEMICAL PHYSICS

Excitation Spectra of Cation and Anion Radicals of Several Unsaturated Hydrocarbons: Symmetry Adapted Cluster-Configuration Interaction Theoretical Study

(2012) Yasushi Honda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Ultrafast Pathway of Photon-Induced Electrocyclic Ring-Opening Reactions: The Case of 1,3-Cyclohexadiene

(2011) Sanghamitra Deb et al.   Annual Review of Physical Chemistry

Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

(2011) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Photochemical Ring-Opening of Cyclohexadiene: Quantum Wavepacket Dynamics on a Global Ab Initio Potential Energy Surface

(2010) J. B. Schönborn et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dynamic electron correlation effect on conical intersections in photochemical ring-opening reaction of cyclohexadiene: MS-CASPT2 study

(2009) Toshifumi Mori et al.   CHEMICAL PHYSICS LETTERS

Beyond the van der Lugt/Oosterhoff Model: When the Conical Intersection Seam and the S1Minimum Energy Path Do Not Cross

(2009) Artur Nenov et al.   JOURNAL OF ORGANIC CHEMISTRY

Cyclohexadiene ring opening observed with 13 fs resolution: coherent oscillations confirm the reaction path

(2008) K. Kosma et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS