Most of the systems possessing true two-electron three-center interactions are electron deficient compounds like boron hydrids, closo-boranes, and some organic ions such as butonium cations. In this work, we perform a detailed study of theelectron distribution for two different types of systems to which likewise interactions has been adjudicated: organometallic CH4−Me(+p) (p = 1, 2) adducts with Me, alkaline and earth alkaline metallic ions of Li, Na, K, Be, Mg, Ca in their stable gaseous phase and X4H+ (X = P, As) simple clusters. For this purpose, topological analysis of the electron density decomposed into its effectively paired and unpaired contributions has been carried out looking for complex interactions.Fil: Lobayan, Rosana Maria. U...
The first quant. evidence for the viability of three-dimensional arom. clusters involving d-orbitals...
This computational study examines the key factors that control the structures and energetics of the ...
We report a comprehensive theoretical investigation on phosphorus–boron mixed neutral, anionic, and ...
Two-electron three-center bonding interactions in organic ions like methonium (CH + 5 ), ethonium...
We employ second-order Møller-Plesset perturbation theory level in combination with recently develop...
All-metal clusters, such as Al4M4 (M = alkali metal ion), exhibit interesting features of multi-fold...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years. the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
12 mixed metal, four-nuclear clusters Pt(2)M(2) have been calculated and discussed using DV-X method...
The π-electrons in benzene, the quintessential aromatic molecule, were previously shown to be distor...
In this report we provide a theoretical support for the existence of nonclassical 3-center bonding r...
The nature of the cation-pi interaction has been examined by carrying out high level ab initio calcu...
The first quant. evidence for the viability of three-dimensional arom. clusters involving d-orbitals...
This computational study examines the key factors that control the structures and energetics of the ...
We report a comprehensive theoretical investigation on phosphorus–boron mixed neutral, anionic, and ...
Two-electron three-center bonding interactions in organic ions like methonium (CH + 5 ), ethonium...
We employ second-order Møller-Plesset perturbation theory level in combination with recently develop...
All-metal clusters, such as Al4M4 (M = alkali metal ion), exhibit interesting features of multi-fold...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years. the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
12 mixed metal, four-nuclear clusters Pt(2)M(2) have been calculated and discussed using DV-X method...
The π-electrons in benzene, the quintessential aromatic molecule, were previously shown to be distor...
In this report we provide a theoretical support for the existence of nonclassical 3-center bonding r...
The nature of the cation-pi interaction has been examined by carrying out high level ab initio calcu...
The first quant. evidence for the viability of three-dimensional arom. clusters involving d-orbitals...
This computational study examines the key factors that control the structures and energetics of the ...
We report a comprehensive theoretical investigation on phosphorus–boron mixed neutral, anionic, and ...