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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.", "item_img_path" : "https://covers2.booksamillion.com/covers/bam/3/31/900/986/3319009869_b.jpg", "price_data" : { "retail_price" : "54.99", "online_price" : "54.99", "our_price" : "54.99", "club_price" : "54.99", "savings_pct" : "0", "savings_amt" : "0.00", "club_savings_pct" : "0", "club_savings_amt" : "0.00", "discount_pct" : "10", "store_price" : "" } }
Molecular Response Functions for the Polarizable Continuum Model|Roberto Cammi

Molecular Response Functions for the Polarizable Continuum Model : Physical Basis and Quantum Mechanical Formalism

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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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