An extensive study of ring current injection and intensification of the storm-time symmetric ring current is conducted with three-dimensional (3-D) test particle trajectory calculations (TPTCs) in this paper. TPTCs re...An extensive study of ring current injection and intensification of the storm-time symmetric ring current is conducted with three-dimensional (3-D) test particle trajectory calculations (TPTCs) in this paper. TPTCs reveal more accurately the process of ring current injection. The main results are the following: (1) an intense convection electric field can effec-tively energize and inject plasma sheet particles into ring current region within 1-3 h. (2) Injection ions often follow chaotic trajectories in non-adiabatic regions,which may have implications in storm and ring current physics. (3) The shielding electric field, which arises as a consequence of enhanced convection and co-exists with injection and convection electric field, leads the original open trajectories to change into closed ones, thus may play an important role in the formation of the symmetric ring current.展开更多
The structures,the binding energies and the thermodynamic properties of formamide and hydroxyacetonitrile(HAN) dimers have been studied by means of the self\|consistent \%ab initio\% Hartree\|Fock and the second\|orde...The structures,the binding energies and the thermodynamic properties of formamide and hydroxyacetonitrile(HAN) dimers have been studied by means of the self\|consistent \%ab initio\% Hartree\|Fock and the second\|order Mφller\|Plesset correlation energy correction methods. The counterpoise procedure was used to check the basis set superposition error(BSSE) of the binding energies. There exist cyclic structures in a formamide dimer(Ⅰ),a HAN dimer(Ⅱ) and their heterodimer(Ⅲ). The corrected binding energies for dimers Ⅰ,Ⅱ and Ⅲ are respectively -45.53,-45.83 and -43.89 kJ/mol at the MP2/aug\|cc\|p VDZ//HF/\{aug\|cc\|p VDZ\} level. The change of the Gibbs free energies(Δ\%G\%) in the process of Ⅰ+Ⅱ→2Ⅲ was predicted to be -2.74 kJ/mol at 298.15 K. Dimer Ⅲ can be spontaneously produced in the mixture of formamide and HAN,which is in agreement with the experimental fact that most cyanohydrins are capable of interacting with dipeptide cyclo\|His\|Phe(CHP).展开更多
文摘An extensive study of ring current injection and intensification of the storm-time symmetric ring current is conducted with three-dimensional (3-D) test particle trajectory calculations (TPTCs) in this paper. TPTCs reveal more accurately the process of ring current injection. The main results are the following: (1) an intense convection electric field can effec-tively energize and inject plasma sheet particles into ring current region within 1-3 h. (2) Injection ions often follow chaotic trajectories in non-adiabatic regions,which may have implications in storm and ring current physics. (3) The shielding electric field, which arises as a consequence of enhanced convection and co-exists with injection and convection electric field, leads the original open trajectories to change into closed ones, thus may play an important role in the formation of the symmetric ring current.
文摘The structures,the binding energies and the thermodynamic properties of formamide and hydroxyacetonitrile(HAN) dimers have been studied by means of the self\|consistent \%ab initio\% Hartree\|Fock and the second\|order Mφller\|Plesset correlation energy correction methods. The counterpoise procedure was used to check the basis set superposition error(BSSE) of the binding energies. There exist cyclic structures in a formamide dimer(Ⅰ),a HAN dimer(Ⅱ) and their heterodimer(Ⅲ). The corrected binding energies for dimers Ⅰ,Ⅱ and Ⅲ are respectively -45.53,-45.83 and -43.89 kJ/mol at the MP2/aug\|cc\|p VDZ//HF/\{aug\|cc\|p VDZ\} level. The change of the Gibbs free energies(Δ\%G\%) in the process of Ⅰ+Ⅱ→2Ⅲ was predicted to be -2.74 kJ/mol at 298.15 K. Dimer Ⅲ can be spontaneously produced in the mixture of formamide and HAN,which is in agreement with the experimental fact that most cyanohydrins are capable of interacting with dipeptide cyclo\|His\|Phe(CHP).
