nowadays nmr spectroscopy becomes a powerful tool in chemistry because of the nmr chemical shifts. hartree–fock theory and the gauge-including atomic orbital (giao) methods are used in the calculation of 29si nmr chemical shifts of various silicate species in the silicate solution as initial components for zeolite synthesis both in gas and solution phase. calculations have been performed at geo...

Let e be an edge of a G connecting the vertices u and v. Define two sets N1 (e | G) and N2(e |G) as N1(e | G)= {xV(G) d(x,u) d(x,v)} and N2(e | G)= {xV(G) d(x,v) d(x,u) }.The number of elements of N1(e | G) and N2(e | G) are denoted by n1(e | G) and n2(e | G) , respectively. The Szeged index of the graph G is defined as Sz(G) ( ) ( ) 1 2 n e G n e G e E    . In this paper we compute th...

The m-order connectivity index (G) m of a graph G is     1 2 1 1 2 1 ... ... 1 ( ) i i im m v v v i i i m d d d  G where 1 2 1 ... i i im d d d  runs over all paths of length m in G and i d denotes the degree of vertex i v . Also,        1 2 1 1 2 1 ... ... 1 ( ) i i im m v v v i i i ms d d d X G is its m-sum connectivity index. A dendrimer is an artificially manufactured or synth...

Quadratic Stark constants of neutral copper spectral lines for all s,p, and d levels are calculated using the Coulomb approximation. These results are compared with existing data and, generally, good agreement is observed

Though forgotten by history, the 1935 Gold Clause cases concerning abrogation of gold-indexed bonds were instantly dubbed historical landmarks. Perry v. U.S., the case addressing federal bond contracts, should be remembered as an important instance of strategic judicial retreat. Expecting that the wrong outcome would provoke an attack and harm its legitimacy, the Supreme Court granted the admin...