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Using redundant internal coordinates to optimize equilibrium geometries and transition states.
Chunyang Peng
Philippe Y. Ayala
H. Bernhard Schlegel
Michael J. Frisch
Published in:
J. Comput. Chem. (1996)
Keyphrases
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internal states
state transition
state transitions
internal state
input output
external world
game theory
variational inequalities
highly redundant
nash equilibrium
market equilibrium
neural network
mixed strategy