The semirigid vibrating rotor target model for quantum polyatomic reaction dynamics
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journal
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September 1999 |
Multistate, multichannel coupled diabatic state representations of adiabatic states coupled by conical intersections. CH 2 OH photodissociation
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April 2017 |
Statistical and nonstatistical nonadiabatic photodissociation from the first excited state of the hydroxymethyl radical
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February 2005 |
Accessing Multiple Conical Intersections in the 3s and 3p x Photodissociation of the Hydroxymethyl Radical
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May 2013 |
Accurate nonadiabatic dynamics
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January 2016 |
Control of chemical reactivity by transition-state and beyond
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January 2016 |
Nonadiabatic Quantum Chemistry—Past, Present, and Future
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November 2011 |
Photodissociative spectroscopy of the hydroxymethyl radical (CH2OH) in the 3s and 3px states
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journal
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September 2002 |
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 |
Full-Dimensional Quantum Dynamics of Vibrationally Mediated Photodissociation of NH 3 and ND 3 on Coupled Ab Initio Potential Energy Surfaces: Absorption Spectra and NH 2 (Ã 2 A 1 )/NH 2 (X̃ 2 B 1 ) Branching Ratios
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July 2014 |
Discrete-Variable Representations and their Utilization
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book
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January 2000 |
Conical Intersections: Electronic Structure, Dynamics and Spectroscopy
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book
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July 2004 |
Theory of light absorption and non-radiative transitions in F-centres
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journal
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December 1950 |
Stability, Properties, and Electronic g Tensors of the H 2 COH Radical
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April 1998 |
Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A -Band
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journal
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March 2014 |
Competitive C–H and O–D bond fission channels in the UV photodissociation of the deuterated hydroxymethyl radical CH2OD
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journal
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April 2004 |
Chemical dynamics of vibrationally excited molecules: Controlling reactions in gases and on surfaces
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journal
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September 2008 |
Imaging Studies of Excited and Dissociative States of Hydroxymethylene Produced in the Photodissociation of the Hydroxymethyl Radical
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journal
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July 2014 |
Structural and Thermochemical Properties of Hydroxymethyl (CH2OH) Radicals and Cations Derived from Observations of B̃ 2A‘(3p) ← X̃ 2A‘‘ Electronic Spectra and from ab Initio Calculations
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journal
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January 1996 |
Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy
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journal
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July 2017 |
Photodissociation of the Hydroxymethyl Radical from the 2 2 A‘ ‘(3 p z ) State: H 2 CO and HCOH Products †
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journal
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November 2004 |
Photodissociation of the hydroxymethyl radical. I. The role of conical intersections in line broadening and decomposition pathways
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journal
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January 2002 |
Nonadiabatic Photodissociation of the Hydroxymethyl Radical from the 2 2 A State. Surface Hopping Simulations Based on a Full Nine-Dimensional Representation of the 1,2,3 2 A Potential Energy Surfaces Coupled by Conical Intersections
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journal
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February 2015 |
High-Resolution Direct-Absorption Spectroscopy of Hydroxymethyl Radical in the CH Symmetric Stretching Region
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journal
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March 2013 |
Predissociation of the Hydroxymethyl Radical in the 3 p z Rydberg State: Formaldehyde + Hydrogen Atom Channel †
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journal
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November 2000 |
Nonadiabatic Tunneling in Photodissociation of Phenol
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journal
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June 2016 |
Mode-Specific S N 2 Reaction Dynamics
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journal
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August 2016 |
First principles determination of the NH 2 /ND 2 (Ã,X̃) branching ratios for photodissociation of NH 3 /ND 3 via full-dimensional quantum dynamics based on a new quasi-diabatic representation of coupled ab initio potential energy surfaces
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journal
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December 2012 |
O–D bond dissociation from the 3s state of deuterated hydroxymethyl radical (CH2OD)
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journal
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June 2003 |
A time-independent theory of photodissociation based on polynomial propagation
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journal
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February 1998 |
Full-dimensional potentials and state couplings and multidimensional tunneling calculations for the photodissociation of phenol
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journal
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January 2014 |
Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band
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journal
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March 2015 |
Nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 2 2 A (3 s ) Rydberg state: A four-dimensional quantum study
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journal
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June 2017 |
Q UANTUM S CATTERING C ALCULATIONS ON C HEMICAL R EACTIONS
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journal
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October 2003 |
Overtone-induced dissociation and isomerization dynamics of the hydroxymethyl radical (CH 2 OH and CD 2 OH). I. A theoretical study
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journal
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February 2012 |
Photodissociation Dynamics
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book
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January 2009 |
The Spectroscopy of Formaldehyde and Thioformaldehyde
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journal
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October 1983 |
Constructive and Destructive Interference in Nonadiabatic Tunneling via Conical Intersections
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journal
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April 2017 |
Reduced dimensionality theory of quantum reactive scattering
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journal
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June 1991 |
Overtone-induced dissociation and isomerization dynamics of the hydroxymethyl radical (CH 2 OH and CD 2 OH). II. Velocity map imaging studies
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journal
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February 2012 |
The Electronic Spectrum of H 2 COH Revisited
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journal
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September 2001 |
Quantum dynamics and kinetics of the abstraction reactions by H atoms of primary and secondary hydrogens in C3H8
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journal
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July 2005 |
Recent Advances in Quantum Dynamics of Bimolecular Reactions
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journal
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May 2016 |
Photodissociation Dynamics
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journal
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January 1996 |
Time-dependent and time-independent wavepacket approaches to reactive scattering and photodissociation dynamics
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journal
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July 2008 |
A quantum model Hamiltonian to treat reactions of the type X+YCZ3→XY+CZ3: Application to O(3P)+CH4→OH+CH3
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journal
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January 2000 |
Photodissociation Dynamics
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journal
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January 1995 |
Photodissociation Dynamics
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book
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January 2002 |
Photodissociation Dynamics
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book
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January 2004 |
Photodissociation Dynamics
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journal
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August 1994 |