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Electrostatic solvent effects on the electronic structure of ground and excited states of molecules: Applications of a cavity model based upon a finite element method.
Thomas Fox
Notker Rösch
Randy J. Zauhar
Published in:
J. Comput. Chem. (1993)
Keyphrases
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finite element method
finite element
numerical simulations
boundary conditions
numerical methods
numerical solution
lower bound
particle swarm optimization
temperature field
diffuse optical tomography