Next Generation Quantum Theory of Atoms in Molecules [E-Book] : From Stereochemistry to Photochemistry and Molecular Devices / by Samantha Jenkins, Steven Robert Kirk.
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...
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Full text |
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Personal Name(s): | Jenkins, Samantha, author |
Kirk, Steven Robert, author | |
Edition: |
1st edition 2023. |
Imprint: |
Singapore :
Springer,
2023
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Physical Description: |
XI, 227 pages 124 illustrations, 120 illustrations in color (online resource) |
Note: |
englisch |
ISBN: |
9789819903290 |
DOI: |
10.1007/978-981-99-0329-0 |
Series Title: |
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Lecture Notes in Chemistry ;
110 |
Subject (LOC): |
- 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.