Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases.
By Aleksandr V. Marenich, Steven V Jerome, Christopher J. Cramer, Donald G. Truhlar. Journal of Chemical Theory and Computation, 2012
835 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/a3e0cd572348ae1605c506021c833028b120fa87
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In Atomic and Molecular Physics, and Optics
- Christoph Bannwarth
- Stefan Grimme
- Andreas Hansen
- Sebastian Ehlert
- Philipp Pracht
- Eike Caldeweyher
- Sebastian Spicher
- Jakob Seibert
In Materials Chemistry
- Stefan Grimme
- Andreas Hansen
- Christoph Bannwarth
- Philipp Pracht
- Sebastian Ehlert
- Simon Axelrod
- Rafael Gómez‐Bombarelli
Citations in the corpus
- Extended tight‐binding quantum chemistry methods (2020, background): “It should be noted that the VTB charges in Equation (54) are not plain Mulliken charges, but modified according to the CM5 model.(72) The applied basis functions in the different parts are summarized in Table 2.”