A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitive energetic perspective within the quantum theory of atoms in molecules (QTAIM), the domain natural orbitals obtained by the diagonalization of the charge-weighted domain-averaged Fermi hole (DAFH), and the statistical analyses of chemical bonding provided by the electron number distribution functions (EDF) is presented. As shown, it allows for recovering traditional orbital images from the orbital invariant descriptions of QTAIM. It does also provide bonding indices (like bond orders) and bond energetics, all in a per orbital basis, still invariant manner, using a single unified framework. The procedure is applied to show how the Dewar, Chat...
Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily r...
Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily r...
One challenge in chemistry is the plethora of often disparate models for rationalizing the electroni...
A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitiv...
A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitiv...
A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitiv...
A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitiv...
Tesis con mención internacionalThe chemical bond might be considered as the central pillar of chemis...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
In this perspective, we review some recent advances in the concept of atoms-in-molecules from a real...
The shapes of molecular orbitals (MOs) in polyatomic molecules are often difficult for meaningful ch...
Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily r...
Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily r...
Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily r...
One challenge in chemistry is the plethora of often disparate models for rationalizing the electroni...
A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitiv...
A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitiv...
A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitiv...
A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitiv...
Tesis con mención internacionalThe chemical bond might be considered as the central pillar of chemis...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
In this perspective, we review some recent advances in the concept of atoms-in-molecules from a real...
The shapes of molecular orbitals (MOs) in polyatomic molecules are often difficult for meaningful ch...
Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily r...
Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily r...
Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily r...
One challenge in chemistry is the plethora of often disparate models for rationalizing the electroni...