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The two faces of chemistry: can they be reconciled?
Online Contents | 2012|Keywords: Quantum theory of atoms in molecules -
A vector‐based representation of the chemical bond for the normal modes of benzene
Wiley | 2018|Keywords: quantum theory of atoms in molecules -
Molecular QTAIM Topology Is Sensitive to Relativistic Corrections
Wiley | 2019|Keywords: quantum theory of atoms in molecules -
Why Bond Critical Points Are Not “Bond” Critical Points
Wiley | 2018|Keywords: quantum theory of atoms in molecules -
Electrostatic potentials and polarization effects in proton‐molecule interactions by means of multipoles from the quantum theory of atoms in molecules
Wiley | 2012|Keywords: quantum theory of atoms in molecules -
Biphenyl: A stress tensor and vector‐based perspective explored within the quantum theory of atoms in molecules
Wiley | 2015|Keywords: quantum theory of atoms in molecules -
Cooperativity and Anticooperativity in Ion‐Water Interactions: Implications for the Aqueous Solvation of Ions
Wiley | 2021|Keywords: quantum theory of atoms in molecules -
A theoretical study of the bonding capabilities of the zinc‐zinc double bond
Wiley | 2019|Keywords: quantum theory of atoms in molecules -
Chitosan biofilms: Insights for the selective electromembrane extraction of fluoroquinolones from biological samples
Elsevier | 2021|Keywords: Quantum theory of atoms in molecules -
Atomic Charges and Chemical Bonding in Y-Ga Compounds
Free accessDOAJ | 2018|Keywords: quantum theory of atoms in molecules -
Energetic Descriptors of Steric Hindrance in Real Space: An Improved IQA Picture **
Wiley | 2021|Keywords: quantum theory of atoms in molecules -
Aromaticity in Pericyclic Transition State Structures? A Critical Rationalisation Based on the Topological Analysis of Electron Density
Wiley | 2016|Keywords: quantum theory of atoms in molecules -
Rhorix: An interface between quantum chemical topology and the 3D graphics program blender
Wiley | 2017|Keywords: quantum theory of atoms in molecules -
A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants
Elsevier | 2012|Keywords: Quantum theory of atoms in molecules -
Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties
Wiley | 2017|Keywords: Quantum Theory of Atoms in Molecules -
Improving the hydrogen storage capacity of metal organic framework by chemical functionalization
Elsevier | 2012|Keywords: Quantum theory of atoms in molecules -
SBA15–Fluconazole as a Protective Approach Against Mild Steel Corrosion: Synthesis, Characterization, and Computational Studies
Free accessWiley | 2018|Keywords: quantum theory of atoms in molecules -
Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms‐in‐Molecules Descriptors, Binding Energies, and Energy Components of Symmetry‐Adapted Perturbation Theory
Wiley | 2019|Keywords: quantum theory of atoms‐in‐molecules -
Real‐Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength
Wiley | 2018|Keywords: quantum theory of atoms in molecules -
The study of EGFR-ligand complex electron property relationship with biological activity
Taylor & Francis Verlag | 2022|Keywords: quantum theory of atoms in molecules
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