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Theoretical studies of intersystem crossing effects in the O+H
2
reaction
Mark R. Hoffmann,
George C. Schatz
IIN - International Institute for Nanotechnology
Research output
:
Contribution to journal
›
Article
›
peer-review
60
Scopus citations
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2
reaction'. Together they form a unique fingerprint.
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INIS
surfaces
100%
spin
75%
orbits
75%
matrix elements
75%
levels
25%
space
25%
interactions
25%
atoms
25%
information
25%
geometry
25%
couplings
25%
trajectories
25%
potentials
25%
potential energy
25%
chemical reactions
25%
l-s coupling
25%
triplets
25%
surface potential
25%
diatoms
25%
self-consistent field
25%
born-oppenheimer approximation
25%
Chemistry
Atom
100%
Electron Spin
75%
Surface
75%
Chemical Reaction
75%
Intersystem Crossing [Singlet->triplet]
50%
Electronic State
25%
Surface Potential
25%
Potential Energy Surface
25%
Hartree-Fock Calculation
25%
CASSCF Calculation
25%
Spin-Orbit Coupling
25%
Concentration
25%
Procedure
25%
Potential
25%
Trajectory
25%
Basis Set
25%