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"item_title" : "Molecular Response Functions for the Polarizable Continuum Model",
"item_author" : [" Roberto Cammi "],
"item_description" : "Introduction.- The PCM model for solvated molecules.- The definition of the basic model.- The basic energy functional.- The Quantum Mechanical problem.- The Coupled-cluster equations.- Analytical derivatives theory for molecular solute.- Solute molecular properties.- The coupled-cluster analytical derivatives.- Response theory for molecules in solution.- General response theory for the Polarizable Contiuum Model.- The coupled-cluster response theory.",
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Molecular Response Functions for the Polarizable Continuum Model : Physical Basis and Quantum Mechanical Formalism
Overview
Introduction.- The PCM model for solvated molecules.- The definition of the basic model.- The basic energy functional.- The Quantum Mechanical problem.- The Coupled-cluster equations.- Analytical derivatives theory for molecular solute.- Solute molecular properties.- The coupled-cluster analytical derivatives.- Response theory for molecules in solution.- General response theory for the Polarizable Contiuum Model.- The coupled-cluster response theory.
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Details
- ISBN-13: 9783319009865
- ISBN-10: 3319009869
- Publisher: Springer
- Publish Date: October 2013
- Dimensions: 9.21 x 6.14 x 0.16 inches
- Shipping Weight: 0.26 pounds
- Page Count: 58
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