Bond dissociation energies from the topology of the charge density using gradient bundle analysis
Author:
Funder
Office of Naval Research
Publisher
IOP Publishing
Subject
Condensed Matter Physics,Mathematical Physics,Atomic and Molecular Physics, and Optics
Link
http://stacks.iop.org/1402-4896/91/i=2/a=023012/pdf
Reference53 articles.
1. A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power
2. Topology maps of bond descriptors based on the kinetic energy density and the essence of chemical bonding
3. Kinetic energy density and covalent bonding – a complementary analysis at the border of bond and no bond
4. Letter to the Editor: The concept of chemical bond – some like it fuzzy but others concrete
5. Unicorns in the world of chemical bonding models
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4. Geometry of Charge Density as a Reporter on the Role of the Protein Scaffold in Enzymatic Catalysis: Electrostatic Preorganization and Beyond;Journal of Chemical Theory and Computation;2022-12-23
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