Bader, R. F. W. (1990). Atoms in Molecules: A Quantum Theory. New York: Oxford University Press.

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Charge Analysis — GPAW - Bader - Read the Docs

gpaw.readthedocs.io › tutorialsexercises › wavefunctions › charge › charge

Sep 19, 2024 � A fast and robust algorithm for calculating the electronic charges on individual atoms in molecules or crystals, based on the Bader partitioning scheme.

A molecular electron density theory study of hydrogen bond ...

www.tetrahedron-chem.com › article › fulltext

Feb 21, 2024 � 30. Bader, R.F.W.. Atoms in Molecules: A Quantum Theory. Oxford University Press, Oxford, New York, 1994. Google Scholar.

An approach to the resolution of dispute on collective atomic ...

www.nature.com › nature communications › matters arising

Nov 30, 2024 � Bader, R. F. W. Atoms in Molecules - A Quantum Theory (Oxford University Press, 1990). Polestshuk, P. TWOE code: an efficient tool for explicit partition of�...

Deciphering the chemical bonding of the trivalent oxygen atom in ...

pmc.ncbi.nlm.nih.gov › articles › PMC11041353

Mar 26, 2024 � Bader R. F. W., Atoms in Molecules: A Quantum Theory, Oxford University Press, Oxford, 1990 [Google Scholar]; Keith T. A., AIMAll (Version 14.11.23), 2014�...

A comprehensive electron wavefunction analysis toolbox for ...

pubs.aip.org › aip › jcp › article › A-comprehensive-electron-wavefunctio...

Aug 27, 2024 � F. W.. Bader. ,. Atoms in Molecules: A Quantum Theory. (. Oxford University Press. ,. New York. ,. 1994. ). Google Scholar. 32. T. Lu. and. Q. Chen. , “.

Behavior of Trapped Molecules in Lantern-Like Carcerand ...

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Oct 11, 2024 � Bader, R. F. W. Atoms in Molecules: A Quantum Theory; Oxford University Press: New York, USA, 1990. Google Scholar. There is no corresponding record for this�...

[PDF] Exchange‐correlation effects in interatomic energies for pure density ...

onlinelibrary.wiley.com › doi › am-pdf › jcc

Apr 28, 2024 � [10] R. F. W. Bader, Atoms in Molecules: A Quantum Theory, Oxford Uni- versity Press, Oxford, UK 1990. [11] P. L. A. Popelier, Atoms in Molecules: An�...

[PDF] Weak and strong π interactions between two monomers - NSF-PAR

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Feb 17, 2024 � Bader, R. F. W., Atoms in molecules: a quantum theory. In Interna- tional Series of Monographs on Chemistry; Oxford University Press: USA,. 1990. 145. Bader�...

Revealing the Critical Role of Global Electron Density Transfer in the ...

pmc.ncbi.nlm.nih.gov › articles › PMC11053847

Apr 19, 2024 � Bader R.F.W. Atoms in Molecules: A Quantum Theory. Oxford University Press; Oxford, NY, USA: 1994. [Google Scholar]; 18. Domingo L.R., R�os-Guti�rrez M�...

(PDF) 100th Anniversary of Bohr's Model of the Atom - ResearchGate

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Oct 22, 2024 � This essay traces Bohr's fundamental reasoning regarding atomic structure and spectra, the periodic table of the elements, and chemical bonding.