The Linear Response Function (Englisch)
- Neue Suche nach: Geerlings, Paul
- Neue Suche nach: Liu, Shubin
- Neue Suche nach: Geerlings, Paul
In:
Conceptual Density Functional Theory
: Towards a New Chemical Reactivity Theory
;
301-323
;
2022
-
ISBN:
- Aufsatz/Kapitel (Buch) / Elektronische Ressource
-
Titel:The Linear Response Function
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Beteiligte:Liu, Shubin ( Herausgeber:in ) / Geerlings, Paul ( Autor:in )
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Erschienen in:Conceptual Density Functional Theory : Towards a New Chemical Reactivity Theory ; 301-323
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Verlag:
- Neue Suche nach: Wiley‐VCH GmbH
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Erscheinungsort:Weinheim, Germany
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Erscheinungsdatum:07.06.2022
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Format / Umfang:23 pages
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ISBN:
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DOI:
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Medientyp:Aufsatz/Kapitel (Buch)
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Format:Elektronische Ressource
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Sprache:Englisch
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Schlagwörter:
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Datenquelle:
Inhaltsverzeichnis E-Book
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 1
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Historic OverviewGeerlings, Paul et al. | 2022
- 17
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Basic FunctionsDe Proft, Frank et al. | 2022
- 47
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Basic FormalismAyers, Paul W. / Liu, Shubin et al. | 2022
- 61
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Basic PrinciplesChakraborty, Debdutta / Chattaraj, Pratim K. et al. | 2022
- 75
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Conceptual DFT and Excited StatesGuégan, Frédéric / Merzoud, Lynda / Chermette, Henry / Morell, Christophe et al. | 2022
- 93
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Chemical Response Functions in (Quasi‐)Degenerate StatesBultinck, Patrick / Cárdenas, Carlos et al. | 2022
- 111
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Spin‐Polarized CDFTChamorro, Eduardo et al. | 2022
- 137
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Finite Temperature Conceptual Density Functional TheoryGázquez, José L. / Franco‐Pérez, Marco et al. | 2022
- 161
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Chemical Reactivity in Time‐Dependent SituationsSarkar, Utpal / Chattaraj, Pratim Kumar et al. | 2022
- 187
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Selectivity: An Electron Density PerspectiveRíos‐Gutiérrez, Mar / Miranda‐Quintana, Ramón Alain et al. | 2022
- 209
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Charge Transfer Models in Conceptual DFTVela, Alberto / Gázquez, José L. / Orozco‐Valencia, Ulises et al. | 2022
- 229
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Reaction Electronic FluxRincon, Luis / Torres, F. Javier et al. | 2022
- 245
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Mechanical ForceBettens, Tom / De Proft, Frank et al. | 2022
- 263
-
The Hard/Soft Acid/Base Rule: A Perspective from Conceptual Density‐Functional TheoryAyers, Paul W. / Mohamed, Menatalla / Heidar‐Zadeh, Farnaz et al. | 2022
- 281
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Information‐Theoretic ApproachRong, Chunying / Yu, Donghai / Liu, Shubin et al. | 2022
- 301
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The Linear Response FunctionGeerlings, Paul et al. | 2022
- 325
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Valence‐State Concepts and Implications for CDFTvon Szentpály, László / Bernard, Romola A. et al. | 2022
- 349
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Chemical InformationLaplaza, Rubén / Munárriz, Julen / Contreras‐García, Julia et al. | 2022
- 375
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Molecular FaceZhao, Dong‐Xia / Huang, Hong / Yang, Zhong‐Zhi et al. | 2022
- 391
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Bridging Conceptual Density Functional and Valence Bond TheoriesStuyver, Thijs / Shaik, Sason et al. | 2022
- 417
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A Conceptual Density Functional Theoretic View of Chemical BindingGhosh, Swapan K. et al. | 2022
- 443
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Molecular Acidity, PCET , and Metal SpecificityZhao, Dongbo / Liu, Shubin et al. | 2022
- 463
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On the Mechanisms of Chemical ReactionsGutiérrez‐Oliva, Soledad / Forero‐Girón, Angie Carolay / Villegas‐Escobar, Nery / Toro‐Labbé, Alejandro et al. | 2022
- 481
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Application of Reactivity Indices in the Study of Polar D iels– A lder ReactionsDomingo, Luis R. / Ríos‐Gutiérrez, Mar et al. | 2022
- 503
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Interaction Locality in Molecular CrystalsVerma, Kanupriya / Li, Tonglei et al. | 2022
- 533
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A Conceptual DFT Approach Toward Analyzing Hydrogen Storage PotentialChakraborty, Arindam / Mondal, Sukanta / Parida, Rakesh / Giri, Santanab / Chattaraj, Pratim K. et al. | 2022
- 555
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The Fukui Function in Extended Systems: Theory and ApplicationsCárdenas, Carlos / Echeverry, Andrea / Novoa, Trinidad / Robles‐Navarro, Andrés / Gomez, T. / Fuentealba, Patricio et al. | 2022
- 573
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Fermi Softness: A Local Perspective on Surface ActivityHuang, Bing / Zhuang, Lin et al. | 2022
- 587
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ABEEM Polarizable Force FieldZhao, Dong‐Xia / Yang, Zhong‐Zhi et al. | 2022
- 603
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Charge Transfer and Polarization in Force Fields: An Ab Initio Approach Based on the (Atom‐Condensed) Kohn–Sham Equations, Approximated by Second‐Order Perturbation Theory About the Reference Atoms (ACKS2)Ayers, Paul W. et al. | 2022
- 631
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Realization of Conceptual Density Functional Theory and Information‐Theoretic Approach in Multiwfn ProgramLu, Tian / Chen, Qinxue et al. | 2022
- 649
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ChemTools: Gain Chemical Insight from Quantum Chemistry CalculationsPujal*, Leila / Tehrani*, Alireza / Heidar‐Zadeh, Farnaz et al. | 2022
- 663
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Index| 2022
- C1
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Front Matter| 2022