LEADER 03610nam  22007215  450 
001 9911035051403321
005 20251027120443.0
010   $a9783032015433
024 7 $a10.1007/978-3-032-01543-3
035   $a(CKB)41827136000041
035   $a(MiAaPQ)EBC32378994
035   $a(Au-PeEL)EBL32378994
035   $a(DE-He213)978-3-032-01543-3
035   $a(EXLCZ)9941827136000041
100   $a20251027d2025      u|         0
101 0 $aeng
135   $aur|||||||||||
181   $ctxt$2rdacontent
182   $cc$2rdamedia
183   $acr$2rdacarrier
200 10$aComputational Methods for the Analysis of Non-Covalent Interactions /$fedited by Carlos Martín-Fernández, Stuart A. Macgregor
205   $a1st ed. 2025.
210  1$aCham :$cSpringer Nature Switzerland :$cImprint: Springer,$d2025.
215   $a1 online resource (446 pages)
225 1 $aStructure and Bonding,$x1616-8550 ;$v190
311 08$a9783032015426 
327   $aInterpreting 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.
330   $aThis volume showcases state-of-the-art computational methodologies for the description and analysis of non-covalent interactions. Each chapter focusses on a specific approach, outlining a theoretical framework for the method in hand that is then illustrated by cutting-edge applications. A range of energy decomposition analyses and real-space topological and geometrical schemes are covered, providing a menu of approaches from which to draw insight into non-covalent interactions. The book serves as a comprehensive resource for computational chemists, as well as experimental chemists seeking to understand how computational techniques can be applied in their research.
410  0$aStructure and Bonding,$x1616-8550 ;$v190
606   $aChemistry$xData processing
606   $aQuantum chemistry
606   $aCoordination compounds
606   $aOrganometallic chemistry
606   $aChemistry, Inorganic
606   $aBioinorganic chemistry
606   $aComputational Chemistry
606   $aQuantum Chemistry
606   $aCoordination Chemistry
606   $aOrganometallic Chemistry
606   $aMain-Group Chemistry
606   $aBioinorganic Chemistry
615  0$aChemistry$xData processing.
615  0$aQuantum chemistry.
615  0$aCoordination compounds.
615  0$aOrganometallic chemistry.
615  0$aChemistry, Inorganic.
615  0$aBioinorganic chemistry.
615 14$aComputational Chemistry.
615 24$aQuantum Chemistry.
615 24$aCoordination Chemistry.
615 24$aOrganometallic Chemistry.
615 24$aMain-Group Chemistry.
615 24$aBioinorganic Chemistry.
676   $a542.85
700   $aMartín-Fernández$b Carlos$01854551
701   $aMacgregor$b Stuart A$01854552
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9911035051403321
996   $aComputational Methods for the Analysis of Non-Covalent Interactions$94451900
997   $aUNINA