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

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Charge Analysis - Bader - GPAW - Read the Docs

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

Sep 26, 2024 � [Bader]. R. F. W. Bader. Atoms in Molecules: A Quantum Theory. Oxford University Press, New York, 1990. [Tang]. W. Tang, E. Sanville, G. Henkelman. A grid�...

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.

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

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

Apr 25, 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] The MC-QTAIM: A framework for extending the “atoms in molecules ...

typeset.io › pdf › the-mc-qtaim-a-framework-for-extending-the-atoms...

Jan 23, 2024 � The quantum theory of atoms in molecules, QTAIM, is employed to identify AIM and quantify their interactions through the partitioning of molecule into atomic�...

Quantification of hydrogen bond energy based on equations using ...

link.springer.com › Journal of Molecular Modeling

Dec 30, 2023 � Bader RFW (1990) Atoms in molecules. Oxford University Press, Oxford (UK), A Quantum Theory. Book Google Scholar. Brovarets' OO, Yurenko YP, Hovorun DM (2014)�...

Quantum chemical package Jaguar: A survey of recent ...

pubs.aip.org › aip › jcp › article › Quantum-chemical-package-Jaguar-A-s...

Aug 2, 2024 � This paper is dedicated to the quantum chemical package Jaguar, which is commercial software developed and distributed by Schr�dinger, Inc. We discuss�...

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

www.ncbi.nlm.nih.gov › pmc › 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�...

Theoretical Investigation of the Effects of Diverse Hydrogen-Bonding ...

www.sciencedirect.com › science › article › abs › pii

Aug 22, 2024 � Bader et al. Properties of Atoms In Molecules: Electrophilic Aromatic Substituation. J. Phys. Chem. (1989). R. F. W. Bader, Atoms in Molecules: A Quantum Theory�...

The Separability Problem in Molecular Quantum Systems ...

chemistry-europe.onlinelibrary.wiley.com › doi › cphc.202400030 › rodol...

Apr 22, 2024 � In this work, we delve into the mathematical implications of partitioning a molecule into its constituent parts using the widely recognized Atoms-In-Molecules (�...

Conditional Values in Quantum Mechanics - MDPI

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Sep 30, 2024 � Bader, R.F.W. Atoms in Molecules—A Quantum Theory; Oxford University Press: Oxford, UK, 1990. [Google Scholar]; Bader, R.F.W.; Preston, J.T. The kinetic�...