
N 
Title 
Bond lengths (Å) for the conformers of I 

Electron densities at the bond critical points (a.u.) for conformers of I 

Laplacian of electron density at the bond critical points (a.u.) for conformers of I 

Electron density curvature λ_{1} for conformers of I (a.u.) 

Electron density curvature λ_{2} for conformers of I (a.u.) 

Electron density curvature λ_{3} for conformers of I (a.u.) 

Bond ellipticity (λ_{1}⁄λ_{2}1) for conformers of I 

Kinetic energy density g(r)at the bond critical points (a.u.) for conformers of I 

Potential energy density v(r)at the bond critical points (a.u.) for conformers of I 

Electronic energy density h(r)at the bond critical points (a.u.) for conformers of I 

Variation of the covalent bond orders for conformers of I 

Variation of the atomic free valence indexes for conformers of I 

Variation of the atomic volumes (Å^{3}) for conformers of I 

Variation of atomic charges for conformers of I 

Variation of atomic electronic energies (a.u.) for conformers of I 

Bond lengths (Å) for the conformers of II 

Electron densities at the bond critical points (a.u.) for conformers of II 

Laplacian of electron density at the bond critical points (a.u.) for conformers of II 

Electron density curvature λ_{1} for conformers of II (a.u.) 

Electron density curvature λ_{2} for conformers of II (a.u.) 

Electron density curvature λ_{3} for conformers of II (a.u.) 

Bond ellipticity (λ_{1}⁄λ_{2}1) for conformers of II 

Kinetic energy density g(r)at the bond critical points (a.u.) for conformers of II 

Potential energy density v(r)at the bond critical points (a.u.) for conformers of II 

Electronic energy density h(r)at the bond critical points (a.u.) for conformers of II 

Variation of the covalent bond orders for conformers of II 

Variation of the atomic free valence indexes for conformers of II 

Variation of the atomic volumes (Å^{3}) for conformers of II 

Variation of atomic charges for conformers of II 

Variation of atomic electronic energies (a.u.) for conformers of II 

Bond lengths (Å) for the conformers of III 

Electron densities at the bond critical points (a.u.) for conformers of III 

Laplacian of electron density at the bond critical points (a.u.) for conformers of III 

Electron density curvature λ_{1} for conformers of III (a.u.) 

Electron density curvature λ_{2} for conformers of III (a.u.) 

Electron density curvature λ_{3} for conformers of III (a.u.) 

Bond ellipticity (λ_{1}⁄λ_{2}1) for conformers of III 

Kinetic energy density g(r)at the bond critical points (a.u.) for conformers of III 

Potential energy density v(r)at the bond critical points (a.u.) for conformers of III 

Electronic energy density h(r)at the bond critical points (a.u.) for conformers of III  
Variation of the covalent bond orders for conformers of III 

Variation of the atomic free valence indexes for conformers of III 

Variation of the atomic volumes (Å^{3}) for conformers of III 

Variation of atomic charges for conformers of III 

Variation of atomic electronic energies (a.u.) for conformers of III 

Bond lengths (Å) for the different methods of computation 

Electron densities at the bond critical points (a.u.) for different methods of computation 

Laplacian of electron density at the bond critical points (a.u.) for different methods of computation 

Electron density curvature λ_{1} for different methods of computation 

Electron density curvature λ_{2} for different methods of computation 

Electron density curvature λ_{3} for different methods of computation 

Bond ellipticity (λ_{1}⁄λ_{2}1) for different methods of computation 

Kinetic energy density g(r)at the bond critical points (a.u.) for different methods of computation 

Potential energy density v(r)at the bond critical points (a.u.) for different methods of computation 

Electronic energy density h(r)at the bond critical points (a.u.) for different methods of computation 

Variation of the covalent bond orders for different methods of computation 

Variation of the atomic free valence indexes for different methods of computation 

Variation of the atomic volumes (Å^{3}) for differen methods of computation 

Variation of atomic charges for different methods of computation 

Variation of atomic electronic energies (a.u.) for different methods of computation 

Characteristics of N1  C2 bond for conformers of I  III 

Characteristics of C2  N3 bond for conformers of I  III 

Characteristics of N3  C4 bond for conformers of I  III 

Characteristics of C4  C5 bond for conformers of I  III 

Characteristics of C5  C6 bond for conformers of I  III 

Characteristics of C6  N1 bond for conformers of I  III 

Characteristics of N1 atom for conformers of I  III 

Characteristics of C2 atom for conformers of I  III 

Characteristics of N3 atom for conformers of I  III 

Characteristics of C4 atom for conformers of I  III 

Characteristics of C5 atom for conformers of I  III 

Characteristics of C6 atom for conformers of I  III 
All the tables in a single file
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