<p>The results show that both of PIC and ISO have an approximately planar structure. The dihedral angle between two benzene rings of PIC is about 179.95°, which is very consistent with the experimental result of 179.23°; the corresponding dihedral angel of ISO is -179.90°.</p
<p>Panel A: The average orientations of the benzene ring of Phe<sup>61</sup> for the two transitions...
Abstract: Modelling molecular interactions in a benzene dimer is a typical example of a class of pro...
Mitzel NW, Brain PT, Hofmann MA, Rankin DWH, Schrock R, Schmidbaur H. The molecular structures of th...
<p>The dihedral angle between two benzene rings of PIC-I is 179.87°, and the dihedral angle between ...
<p>The result show that SA has an approximately planar structure. The dihedral angle between benzene...
In this study, the molecular structure of p-diisocyanobenzene has been determined by gas-phase elect...
Symmetrically independent geometrical parameters of six molecules, viz. benzene C<sub>6</sub>H<sub>6...
We report the geometries of two distorted T-shaped benzene dimer structures optimized at the RI-MP2/...
<p>Dihedral angles and torsion angles formed between the phthalimide and benzene ring systems.</p
The merits and limitations of gas-phase electron diffraction as a technique for determining accurate...
Modelling molecular interactions in a benzene dimer is a typical example of a class of problems invo...
The molecular structure and conformation of p-bis(trimethylsilyl)benzene have been investigated by g...
<p>For the same active site of PIC and ISO, the corresponding TS structures are very similar.</p
An extensive survey on hybridization angles, calculated by localized MO analysis, was undertaken thr...
$^{1}$J. A. Mucha and D. W. Pratt, Chem. Phys. Letters 37, 40 (1976). $^{2}$P. F. Brode III and D. W...
<p>Panel A: The average orientations of the benzene ring of Phe<sup>61</sup> for the two transitions...
Abstract: Modelling molecular interactions in a benzene dimer is a typical example of a class of pro...
Mitzel NW, Brain PT, Hofmann MA, Rankin DWH, Schrock R, Schmidbaur H. The molecular structures of th...
<p>The dihedral angle between two benzene rings of PIC-I is 179.87°, and the dihedral angle between ...
<p>The result show that SA has an approximately planar structure. The dihedral angle between benzene...
In this study, the molecular structure of p-diisocyanobenzene has been determined by gas-phase elect...
Symmetrically independent geometrical parameters of six molecules, viz. benzene C<sub>6</sub>H<sub>6...
We report the geometries of two distorted T-shaped benzene dimer structures optimized at the RI-MP2/...
<p>Dihedral angles and torsion angles formed between the phthalimide and benzene ring systems.</p
The merits and limitations of gas-phase electron diffraction as a technique for determining accurate...
Modelling molecular interactions in a benzene dimer is a typical example of a class of problems invo...
The molecular structure and conformation of p-bis(trimethylsilyl)benzene have been investigated by g...
<p>For the same active site of PIC and ISO, the corresponding TS structures are very similar.</p
An extensive survey on hybridization angles, calculated by localized MO analysis, was undertaken thr...
$^{1}$J. A. Mucha and D. W. Pratt, Chem. Phys. Letters 37, 40 (1976). $^{2}$P. F. Brode III and D. W...
<p>Panel A: The average orientations of the benzene ring of Phe<sup>61</sup> for the two transitions...
Abstract: Modelling molecular interactions in a benzene dimer is a typical example of a class of pro...
Mitzel NW, Brain PT, Hofmann MA, Rankin DWH, Schrock R, Schmidbaur H. The molecular structures of th...
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