On the relationship between the strength of bonding between topological atoms and the exchange‐correlation energy-Reference-Cited by-同舟云学术

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On the relationship between the strength of bonding between topological atoms and the exchange‐correlation energy

Published:2022-12-29 Issue:9 Volume:123 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J of Quantum Chemistry

Author:

Anisimov Aleksei A.¹²,Ananyev Ivan V.²^ORCID

Affiliation:

1. Laboratory of X‐ray Structural Studies A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences Moscow Russia

2. Quantum Chemistry Laboratory N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences Moscow Russia

Funder

Ministry of Science and Higher Education of the Russian Federation

Russian Science Foundation

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.27082

Reference47 articles.

1. A quantum theory of molecular structure and its applications

2. The Quantum Theory of Atoms in Molecules

3. Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

4. How a Quantum Chemical Topology Analysis Enables Prediction of Electron Density Transfers in Chemical Reactions. The Degenerated Cope Rearrangement of Semibullvalene

5. Using topological analysis of the electron density to study a geometry-electronic structure relationship in M (d5–10)…O and E…O (E = Se,Te) compounds

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1. Probing transferability of intermolecular interactions by their features: a nitro group case study;Mendeleev Communications;2024-07

2. Electron population of Bader’s interatomic surfaces: relevance of estimates based on the electron density function values at critical points;Russian Chemical Bulletin;2024-01

3. B-carboranyl methyl thioether ligands in coordination with the W(CO)5 fragment;Journal of Organometallic Chemistry;2023-12

4. Electron density-based protocol to recover the interacting quantum atoms components of intermolecular binding energy;The Journal of Chemical Physics;2023-09-26

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