Bond connectivity topological index S i based on chemical bonds was defined by using a matrix method.And S i is formed by atomic parameters such as the number of valence electrons,the number of the highest main quan...Bond connectivity topological index S i based on chemical bonds was defined by using a matrix method.And S i is formed by atomic parameters such as the number of valence electrons,the number of the highest main quantum of atoms and the bonding electrons and bond parameters such as the length of bonds,the electronegativity difference of bonding atoms.The molecular bond connectivity topological index S is composed of S i.The thermodynamic properties of saturated hydrocarbons,unsaturated hydrocarbons,oxygen organic,methane halide and transitional element compounds and the molecular bond connectivity topological index S have an optimal correlative relationship.展开更多
The atom-bond connectivity（ABC） index provides a good model for the stability of linear and branched alkanes as well as the strain energy of cycloalkanes,which is defined as ABC（G） =∑ uv∈E（G） √d u＋dv-2 dudv,...The atom-bond connectivity（ABC） index provides a good model for the stability of linear and branched alkanes as well as the strain energy of cycloalkanes,which is defined as ABC（G） =∑ uv∈E（G） √d u＋dv-2 dudv,where du denotes the degree of a vertex u in G.A chemical graph is a graph in which no vertex has degree greater than 4.In this paper,we obtain the sharp upper and lower bounds on ABC index of chemical bicyclic graphs.展开更多
Density functional theory-based calculations have been carried out to study the bonding and reactivity in RB-As R(R=H,F,OH,CH3,CMe_3,CF_3,SiF_3,BO)systems.Our calculations demonstrated that all the studied systems ado...Density functional theory-based calculations have been carried out to study the bonding and reactivity in RB-As R(R=H,F,OH,CH3,CMe_3,CF_3,SiF_3,BO)systems.Our calculations demonstrated that all the studied systems adopted bent geometry(DR-B-As≈180°andDB-As-R≈90°or less).The reason for this bending was explained with the help of a valence-orbital model.The potential energy surfaces for three possible isomers of RB-As R systems were also generated,indicating that the RB-As R isomer was more stable than R_2B-As R when R=SiF_3,CMe_3,and H.The B-As bond character was analyzed using natural bond orbital(NBO)and Wiberg bond index(WBI)calculations.The WBI values for B-As bonds in F3Si B-As SiF_3 and HB-As H were 2.254 and 2.209,respectively,indicating that this bond has some triple-bond character in these systems.While the B centers prefer nucleophilic attack,the As centers prefer electrophilic attack.展开更多
The design guideline for the air suction drawing system with auxiliary air was analyzed,a spunbonding nonwoven system named PADHL1-3200 was designed and polypropylene(PP) spunbonded nonwoven fabrics with excellent pro...The design guideline for the air suction drawing system with auxiliary air was analyzed,a spunbonding nonwoven system named PADHL1-3200 was designed and polypropylene(PP) spunbonded nonwoven fabrics with excellent properties were achieved after many trial runs.On the other hand,the suction air velocity(VA) was calculated and the influence of VA on the bonding strengh of PP nonwoven fabrics was studied as well.It was found that VA is 1.5-2.5 times of the spinning velocity.With the increase of VA,PP fibers become finer and the bonding strength of PP nonwoven fabrics increases as well.展开更多
Two methods for determining the supereulerian index of a graph G are given. A sharp upper bound and a sharp lower bound on the supereulerian index by studying the branch bonds of G are got.
文摘Bond connectivity topological index S i based on chemical bonds was defined by using a matrix method.And S i is formed by atomic parameters such as the number of valence electrons,the number of the highest main quantum of atoms and the bonding electrons and bond parameters such as the length of bonds,the electronegativity difference of bonding atoms.The molecular bond connectivity topological index S is composed of S i.The thermodynamic properties of saturated hydrocarbons,unsaturated hydrocarbons,oxygen organic,methane halide and transitional element compounds and the molecular bond connectivity topological index S have an optimal correlative relationship.
基金Supported by the National Natural Science Foundation of China(11071272,10831001,11171279,11101087)the Young Talent Foundation of Fuzhou University(XRC-1154)
文摘The atom-bond connectivity（ABC） index provides a good model for the stability of linear and branched alkanes as well as the strain energy of cycloalkanes,which is defined as ABC（G） =∑ uv∈E（G） √d u＋dv-2 dudv,where du denotes the degree of a vertex u in G.A chemical graph is a graph in which no vertex has degree greater than 4.In this paper,we obtain the sharp upper and lower bounds on ABC index of chemical bicyclic graphs.
文摘Density functional theory-based calculations have been carried out to study the bonding and reactivity in RB-As R(R=H,F,OH,CH3,CMe_3,CF_3,SiF_3,BO)systems.Our calculations demonstrated that all the studied systems adopted bent geometry(DR-B-As≈180°andDB-As-R≈90°or less).The reason for this bending was explained with the help of a valence-orbital model.The potential energy surfaces for three possible isomers of RB-As R systems were also generated,indicating that the RB-As R isomer was more stable than R_2B-As R when R=SiF_3,CMe_3,and H.The B-As bond character was analyzed using natural bond orbital(NBO)and Wiberg bond index(WBI)calculations.The WBI values for B-As bonds in F3Si B-As SiF_3 and HB-As H were 2.254 and 2.209,respectively,indicating that this bond has some triple-bond character in these systems.While the B centers prefer nucleophilic attack,the As centers prefer electrophilic attack.
文摘The design guideline for the air suction drawing system with auxiliary air was analyzed,a spunbonding nonwoven system named PADHL1-3200 was designed and polypropylene(PP) spunbonded nonwoven fabrics with excellent properties were achieved after many trial runs.On the other hand,the suction air velocity(VA) was calculated and the influence of VA on the bonding strengh of PP nonwoven fabrics was studied as well.It was found that VA is 1.5-2.5 times of the spinning velocity.With the increase of VA,PP fibers become finer and the bonding strength of PP nonwoven fabrics increases as well.
文摘Two methods for determining the supereulerian index of a graph G are given. A sharp upper bound and a sharp lower bound on the supereulerian index by studying the branch bonds of G are got.
