Next Generation Quantum Theory of Atoms in Molecules From Stereochemistry to Photochemistry and Molecular Devices /
This book begins by providing a simplified version of the computational quantum chemistry sufficient to calculate the wavefunctions that are the basic input of NG-QTAIM. Enough basic (scalar) QTAIM theory is provided to understand the later chapters. In addition, our developments of scalar QTAIM are...
Guardat en:
| Autors principals: | , |
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| Autor corporatiu: | |
| Format: | Electrònic eBook |
| Idioma: | anglès |
| Publicat: |
Singapore :
Springer Nature Singapore : Imprint: Springer,
2023.
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| Edició: | 1st ed. 2023. |
| Col·lecció: | Lecture Notes in Chemistry,
110 |
| Matèries: | |
| Accés en línia: | https://doi.org/10.1007/978-981-99-0329-0 |
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Taula de continguts:
- Introduction to Computational Quantum Chemistry
- Exploring the Topological Origins of QTAIM
- Bridging Scalar QTAIM and Vector-Based Next Generation QTAIM
- The NG-QTAIM Interpretation of the Chemical Bond.