The chemical bond overlap plasmon as a tool for quantifying covalency in solid state materials and its applications to spectroscopy
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference48 articles.
1. The Effective Fragment Potential Method: A QM-Based MM Approach to Modeling Environmental Effects in Chemistry
2. Overlap polarizability of a chemical bond: a scale of covalency and application to lanthanide compounds
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1. Adaptive guided stochastic optimization: A novel approach for fitting the theoretical intensity parameters for lanthanide compounds;Optical Materials: X;2023-12
2. Decoding Chemical Bonds: Assessment of the Basis Set Effect on Overlap Electron Density Descriptors and Topological Properties in Comparison to QTAIM;The Journal of Physical Chemistry A;2023-09-13
3. Featuring a new computational protocol for the estimation of intensity and overall quantum yield in lanthanide chelates with applications to Eu(III) mercapto-triazole Schiff base ligands;Optical Materials: X;2022-10
4. Enhancing the Luminescence of Eu(III) Complexes with the Ruthenocene Organometallic Unit as Ancillary Ligand;Inorganic Chemistry;2022-08-19
5. Numerical integration of overlap electron densities: Parallelization strategies for a good load balancing using OpenMP;Computational and Theoretical Chemistry;2021-12
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