The roaming atom: straying from the reaction path in formaldehyde decomposition
about
Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.Fully state-resolved photodissociation of formaldehyde, H2CO --> H + HCO:K conservation and a rigorous test of statistical theories.Infrared laser spectroscopy of CH3...HF in helium nanodroplets: The exit-channel complex of the F + CH4 reaction.Infrared laser spectroscopy of the CH3-HCN radical complex stabilized in helium nanodroplets.State-selective photodissociation dynamics of formaldehyde: near threshold studies of the H+HCO product channel.Photodissociation dynamics of the reaction H2CO-->H+HCO via the singlet (S0) and triplet (T1) surfaces.Time-dependent multiconfiguration theory for describing molecular dynamics in diatomic-like molecules.Near-threshold H/D exchange in CD₃CHO photodissociation.Surface aligned reaction.Timescales for adiabatic photodissociation dynamics from the à state of ammonia.Roads leading to roam. Role of triple fragmentation and of conical intersections in photochemical reactions: experiments and theory on methyl formate.Skirting the transition state, a new paradigm in reaction rate theory.Photodissociation of acetaldehyde as a second example of the roaming mechanism.Roaming dynamics in ion-molecule reactions: phase space reaction pathways and geometrical interpretation.Photochemistry. Evidence for direct molecular oxygen production in CO₂ photodissociation.Dynamical, spectroscopic and computational imaging of bond breaking in photodissociation: roaming and role of conical intersections.Photodissociation resonances of jet-cooled NO2 at the dissociation threshold by CW-CRDS.Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone.Competing pathways in the near-UV photochemistry of acetaldehyde.Imaging the dynamics of gas phase reactions.New insights on reaction dynamics from formaldehyde photodissociation.Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation.Roaming-Mediated CH2NH Elimination from the Ionization of Aromatic Ethylamines.Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces.Molecular halogen elimination from halogen-containing compounds in the atmosphere.Advances in spectroscopy and dynamics of small and medium sized molecules and clusters.Formaldehyde roaming dynamics: Comparison of quasi-classical trajectory calculations and experiments.The energy dependence of CO(v,J) produced from H2CO via the transition state, roaming, and triple fragmentation channels.Finite slice analysis (FINA)-A general reconstruction method for velocity mapped and time-sliced ion imaging.Liberation of H2 from (o-C6H4Me)3P-H(+) + (-)H-B(p-C6F4H)3 ion-pair: A transition-state in the minimum energy path versus the transient species in Born-Oppenheimer molecular dynamics.HCN elimination from vinyl cyanide: product energy partitioning, the role of hydrogen-deuterium exchange reactions and a new pathway.Perspective: chemical dynamics simulations of non-statistical reaction dynamics.Spectroscopic characterization of isomerization transition states.Time-resolved photoionization spectroscopy of mixed Rydberg-valence states: indole case study.Roaming-mediated ultrafast isomerization of geminal tri-bromides in the gas and liquid phases.Quantum and quasi-classical calculations for the S⁺ + H₂(v,j) → SH⁺(v',j') + H reactive collisions.Imaging the radical channel in acetaldehyde photodissociation: competing mechanisms at energies close to the triplet exit barrier.Matrix isolation and computational study of isodifluorodibromomethane (F2CBr-Br): a route to Br2 formation in CF2Br2 photolysis.Dynamics of multidissociation paths of acetaldehyde photoexcited at 157 nm: Branching ratios, distributions of kinetic energy, and angular anisotropies of products.Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations.
P2860
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P2860
The roaming atom: straying from the reaction path in formaldehyde decomposition
description
2004 nî lūn-bûn
@nan
2004 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
The roaming atom: straying from the reaction path in formaldehyde decomposition
@ast
The roaming atom: straying from the reaction path in formaldehyde decomposition
@en
The roaming atom: straying from the reaction path in formaldehyde decomposition
@nl
type
label
The roaming atom: straying from the reaction path in formaldehyde decomposition
@ast
The roaming atom: straying from the reaction path in formaldehyde decomposition
@en
The roaming atom: straying from the reaction path in formaldehyde decomposition
@nl
prefLabel
The roaming atom: straying from the reaction path in formaldehyde decomposition
@ast
The roaming atom: straying from the reaction path in formaldehyde decomposition
@en
The roaming atom: straying from the reaction path in formaldehyde decomposition
@nl
P2093
P356
P1433
P1476
The roaming atom: straying from the reaction path in formaldehyde decomposition
@en
P2093
D Townsend
J M Bowman
J Rheinecker
L B Harding
S A Lahankar
S D Chambreau
P304
P356
10.1126/SCIENCE.1104386
P407
P577
2004-11-12T00:00:00Z