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Book Synopsis

Interpreting Non Covalent Bonds with the Block Localized Wave Function (BLW) Method.- Local Energy Decomposition of Coupled Cluster Energies Principles and Applications.- Electron Density based Energy Decomposition Analysis from QM to QM/MM calculations.- GKS EDA method for intermolecular interactions in complex systems.- SAPT and many body dispersion: Intermolecular interactions at cubic scaling cost.- Survey of contemporary applications of Quantum Chemical Topology.- The Interpenetration Index and its applications in chemistry.- Exhibiting noncovalent interactions in dynamic environments using aIGM method.

Computational Methods for the Analysis of NonCovalent Interactions

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    A Hardback by Carlos Martín-Fernández

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      View other formats and editions of Computational Methods for the Analysis of NonCovalent Interactions by Carlos Martín-Fernández

      Publisher: Springer
      Publication Date: 12/11/2025
      ISBN13: 9783032015426, 978-3032015426
      ISBN10: 3032015421

      Description

      Book Synopsis

      Interpreting Non Covalent Bonds with the Block Localized Wave Function (BLW) Method.- Local Energy Decomposition of Coupled Cluster Energies Principles and Applications.- Electron Density based Energy Decomposition Analysis from QM to QM/MM calculations.- GKS EDA method for intermolecular interactions in complex systems.- SAPT and many body dispersion: Intermolecular interactions at cubic scaling cost.- Survey of contemporary applications of Quantum Chemical Topology.- The Interpenetration Index and its applications in chemistry.- Exhibiting noncovalent interactions in dynamic environments using aIGM method.

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