Primary processes underlying the photostability of isolated DNA bases: Adenine
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June 2006 |
Thymine Dimerization in DNA Is an Ultrafast Photoreaction
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February 2007 |
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
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November 2010 |
Ultrafast Excited-State Dynamics in Nucleic Acids
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April 2004 |
Nonadiabatic Events and Conical Intersections
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May 2011 |
Multimode Molecular Dynamics Beyond the Born-Oppenheimer Approximation
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book
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January 2007 |
Conical Intersections: Theory, Computation and Experiment
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book
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November 2011 |
Nonadiabatic Quantum Chemistry—Past, Present, and Future
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November 2011 |
Role of Conical Intersections in Molecular Spectroscopy and Photoinduced Chemical Dynamics
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May 2012 |
The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings
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May 2015 |
Up to a Sign. The Insidious Effects of Energetically Inaccessible Conical Intersections on Unimolecular Reactions
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January 2019 |
Photoinduced Electron and Proton Transfer in Phenol and Its Clusters with Water and Ammonia †
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October 2001 |
Excited-state hydrogen detachment and hydrogen transfer driven by repulsive 1πσ* states: A new paradigm for nonradiative decay in aromatic biomolecules
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February 2002 |
H atom elimination from the πσ∗ state in the photodissociation of phenol
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January 2004 |
The Role of * Excited States in the Photodissociation of Heteroaromatic Molecules
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June 2006 |
High resolution photofragment translational spectroscopy studies of the near ultraviolet photolysis of phenol
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October 2006 |
Photodissociation Dynamics of Phenol †
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journal
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September 2007 |
Exploring nuclear motion through conical intersections in the UV photodissociation of phenols and thiophenol
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July 2008 |
Dynamics at conical intersections: The influence of O–H stretching vibrations on the photodissociation of phenol
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March 2008 |
Direct versus Indirect H Atom Elimination from Photoexcited Phenol Molecules
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October 2008 |
Observation of geometric phase effect induced photodissociation dynamics in phenol
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October 2008 |
Exploring the Time-Scales of H-Atom Detachment from Photoexcited Phenol- h 6 and Phenol- d 5 : Statistical vs Nonstatistical Decay
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July 2009 |
High Resolution Photofragment Translational Spectroscopy Studies of the Ultraviolet Photolysis of Phenol- d 5
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July 2009 |
Excited state hydrogen transfer dynamics in substituted phenols and their complexes with ammonia: ππ∗-πσ∗ energy gap propensity and ortho -substitution effect
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September 2010 |
Direct Observation of Hydrogen Tunneling Dynamics in Photoexcited Phenol
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January 2012 |
Excited-state dissociation dynamics of phenol studied by a new time-resolved technique
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February 2018 |
Communication: Mode-dependent excited-state lifetime of phenol under the S 1 /S 2 conical intersection
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July 2018 |
Multidimensional H Atom Tunneling Dynamics of Phenol: Interplay between Vibrations and Tunneling
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February 2019 |
Near-UV photolysis of substituted phenols : Part II. 4-, 3- and 2-methylphenol
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January 2008 |
O–H bond fission in 4-substituted phenols: S1 state predissociation viewed in a Hammett-like framework
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journal
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January 2013 |
The near ultraviolet photodissociation dynamics of 2- and 3-substituted thiophenols: Geometric vs. electronic structure effects
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journal
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July 2017 |
Time-dependent quantum wave-packet description of the π1σ* photochemistry of phenol
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June 2005 |
Ab initio characterization of the conical intersections involved in the photochemistry of phenol
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journal
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December 2008 |
Tunnelling under a conical intersection: Application to the product vibrational state distributions in the UV photodissociation of phenols
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May 2011 |
Quantum Wave Packet Propagation Study of the Photochemistry of Phenol: Isotope Effects (Ph-OD) and the Direct Excitation to the 1 πσ* State
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journal
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November 2011 |
A multi-sheeted three-dimensional potential-energy surface for the H-atom photodissociation of phenol
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journal
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January 2013 |
Diabatic Molecular Orbitals, Potential Energies, and Potential Energy Surface Couplings by the 4-fold Way for Photodissociation of Phenol
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journal
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July 2013 |
Fitting coupled potential energy surfaces for large systems: Method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data
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journal
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January 2014 |
Photodissociation Dynamics of Phenol: Multistate Trajectory Simulations including Tunneling
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November 2014 |
An improved quasi-diabatic representation of the 1, 2, 3 1 A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates
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journal
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March 2016 |
On the elimination of the electronic structure bottleneck in on the fly nonadiabatic dynamics for small to moderate sized (10-15 atom) molecules using fit diabatic representations based solely on ab initio electronic structure data: The photodissociation of phenol
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journal
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January 2016 |
Nonadiabatic Tunneling in Photodissociation of Phenol
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journal
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June 2016 |
On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data
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December 2016 |
Constructive and Destructive Interference in Nonadiabatic Tunneling via Conical Intersections
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April 2017 |
Photodissociation of phenol via nonadiabatic tunneling: Comparison of two ab initio based potential energy surfaces
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September 2017 |
Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems
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July 2017 |
On the representation of coupled adiabatic potential energy surfaces using quasi-diabatic Hamiltonians: description of accidental seams of conical intersection
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journal
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September 2010 |
Studies of the Jahn-Teller effect .II. The dynamical problem
- Longuet-Higgins, Hugh Christopher; Öpik, U.; Lecorney Pryce, Maurice Henry
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Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 244, Issue 1236, p. 1-16
https://doi.org/10.1098/rspa.1958.0022
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journal
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February 1958 |
On the determination of Born–Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nuclei
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journal
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March 1979 |
Geometric Phase Effects in Chemical Reaction Dynamics and Molecular Spectra
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journal
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September 2003 |
Theoretical Study of Geometric Phase Effects in the Hydrogen-Exchange Reaction
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August 2005 |
Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State
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February 2018 |
Vibrations of the Phenoxyl Radical
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journal
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November 2001 |
Rovibronic bands of the à B22←X̃ B21 transition of C6H5O and C6D5O detected with cavity ringdown absorption near 1.2 μm
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journal
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October 2008 |
Theoretical Investigation of Molecular Properties of the First Excited State of the Phenoxyl Radical
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journal
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March 2008 |
Absorption spectra of aromatic free radicals: a vibrational analysis of the 3050 Å absorption spectrum of benzyl and a new transition of phenoxyl
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July 1968 |
Active vs. spectator modes in nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 2 2 A (3 s ) Rydberg state
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January 2018 |