Vanadium oxide clusters VxOy^q（x≤8, q=0, ±1） are classified according to the oxidation index （△=2y＋q-5x） of each cluster. Density functional calculations indicate that clusters with the same oxidation inde...Vanadium oxide clusters VxOy^q（x≤8, q=0, ±1） are classified according to the oxidation index （△=2y＋q-5x） of each cluster. Density functional calculations indicate that clusters with the same oxidation index tend to have similar bonding characters, electronic structures, and reactivities. This general rule leads to the findings of new possible ground state struc- tures for V206 and V3O6＋ clusters. This successful application of the classification method on vanadium oxide clusters proves that this method is very effective in studying the bonding properties of early transition metal oxide clusters.展开更多
Charge density distribution in ampicillin trihydrate was investigated experimentally. Results were compared with the quantum calculations using density functional theory. The charge derived properties including Mullik...Charge density distribution in ampicillin trihydrate was investigated experimentally. Results were compared with the quantum calculations using density functional theory. The charge derived properties including Mulliken atomic charges, dipole moment, and molecular electrostatic potential were calculated. The multipole analysis was done for the refinement of experimental population parameters. The structure factors obtained from multipole treat- ment were used for the construction of Fourier maps. Topological properties of the charge distribution were discussed and the characteristics of （3, -1） critical points were analyzed.展开更多
In this paper we define the tensor products of spaces of exponential type vectors of closed unbounded operators in Banach spaces. Using the real method of interpolation （K-functional） we prove the interpolation theo...In this paper we define the tensor products of spaces of exponential type vectors of closed unbounded operators in Banach spaces. Using the real method of interpolation （K-functional） we prove the interpolation theorems that permit to characterize of tensor products of spaces of exponential type vectors, We show an application of abstract results to the theory of regular elliptic operators on bounded domains. For such operators the exponential type vectors are root vectors. Thus we describe the tensor products of root vectors of regular elliptic operators on bounded domains.展开更多
This paper is concerned with a host-macroparasite difference model. By applying the con- traction mapping fixed point theorem, we prove the existence of unique almost periodic positive solution. Moreover, we investiga...This paper is concerned with a host-macroparasite difference model. By applying the con- traction mapping fixed point theorem, we prove the existence of unique almost periodic positive solution. Moreover, we investigate the exponential stability of Mmost periodic solution by means of Lyapunov functional.展开更多
基金This work was supported by the Hundred Talents Fund of the Chinese Academy of Sciences and the National Natural Science Foundation of China （No.20803083 and No.20933008）.
文摘Vanadium oxide clusters VxOy^q（x≤8, q=0, ±1） are classified according to the oxidation index （△=2y＋q-5x） of each cluster. Density functional calculations indicate that clusters with the same oxidation index tend to have similar bonding characters, electronic structures, and reactivities. This general rule leads to the findings of new possible ground state struc- tures for V206 and V3O6＋ clusters. This successful application of the classification method on vanadium oxide clusters proves that this method is very effective in studying the bonding properties of early transition metal oxide clusters.
文摘Charge density distribution in ampicillin trihydrate was investigated experimentally. Results were compared with the quantum calculations using density functional theory. The charge derived properties including Mulliken atomic charges, dipole moment, and molecular electrostatic potential were calculated. The multipole analysis was done for the refinement of experimental population parameters. The structure factors obtained from multipole treat- ment were used for the construction of Fourier maps. Topological properties of the charge distribution were discussed and the characteristics of （3, -1） critical points were analyzed.
文摘In this paper we define the tensor products of spaces of exponential type vectors of closed unbounded operators in Banach spaces. Using the real method of interpolation （K-functional） we prove the interpolation theorems that permit to characterize of tensor products of spaces of exponential type vectors, We show an application of abstract results to the theory of regular elliptic operators on bounded domains. For such operators the exponential type vectors are root vectors. Thus we describe the tensor products of root vectors of regular elliptic operators on bounded domains.
基金The author thanks the referees for their valuable comments and suggestions in improving the presentation of the manuscript. This work is supported by Natural Science Foundation of Education Department of Anhui Province （KJ2014A043）.
文摘This paper is concerned with a host-macroparasite difference model. By applying the con- traction mapping fixed point theorem, we prove the existence of unique almost periodic positive solution. Moreover, we investigate the exponential stability of Mmost periodic solution by means of Lyapunov functional.
