1 + 1 = 3

Ab Initio Study of Conformational and Configurational Properties of 1, 3- Diazacyclohepta-1, 2-diene and 1, 3-Diazacycloocta-1, 2-diene

Ab initio calculations at HF/6-31G* level of theory for geometry optimization and MP2/6-31G*//HF/6-31G* for a single point total energy calculation are reported for the importantenergy-minimum conformations and transition-state geometries of 1, 3-diazacyclohepta-1, 2-diene (2) and 1, 3-diazacycloocta-1, 2-diene (3). The C2 symmetric twist-chair (2-TC)conformation of 2 is calculated to be 7.4 kJ...

Cover Vol.3, No.1, April 2006

ab initio study of conformational and configurational properties of 1, 3- diazacyclohepta-1, 2-diene and 1, 3-diazacycloocta-1, 2-diene

ab initio calculations at hf/6-31g* level of theory for geometry optimization and mp2/6-31g*//hf/6-31g* for a single point total energy calculation are reported for the importantenergy-minimum conformations and transition-state geometries of 1, 3-diazacyclohepta-1, 2-diene (2) and 1, 3-diazacycloocta-1, 2-diene (3). the c2 symmetric twist-chair (2-tc)conformation of 2 is calculated to be 7.4 kj...

2 3 1 1 1 0 0 0 0 1 1 1 2 3 1 2 3 1 3 2 2 3 Adjacency matrix Adjacency list

Graphs and Digraphs: A graph G = (V,E) is a structure that represents a discrete set V objects, called vertices or nodes, and a set of pairwise relations E between these objects, called edges. Edges may be directed from one vertex to another or may be undirected. The term “graph” means an undirected graph, and directed graphs are often called digraphs (see Fig. 1). Graphs and digraphs provide a...

THE SYNTHESES OF 1- [[2- AMINO -1 - (HYDROXYMETHYL) ETHOXY] METHYL] URACIL AND 1, 3-BIS (2- HALOETHOXYMETHYL) PYRIMIDINE

The syntheses of the title compounds are described. 1- [[2- Amino -1 - (hydroxymethyl) ethoxy] methyl] uracil exhibitslittleactivity against herpesviruses (HSV) in vivo