منابع مشابه
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...
متن کامل2 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...
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The syntheses of the title compounds are described. 1- [[2- Amino -1 - (hydroxymethyl) ethoxy] methyl] uracil exhibitslittleactivity against herpesviruses (HSV) in vivo
متن کاملab 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...
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=> L!"M,0 ) -,N#>< $!"O( !> %C>2DE .: 0 3JF 6 7# KH#2 . 6#! "I >3,H9 3(G3H0! %,X 53( W )> A! :&C .6 #! $1"V 5%N9K @ST .=< UJ 53( :P12Q< A! :&C G!2NRK9 A! :8&C 68,3+< :H8V)>%,( . 68#! =YF W)> A! $13XM#! .=< A! %C>2DE ZY[ 5!"9 G!"4'()*+ KF2 1>2 ",`! 53( ^3# >1 G< :9YF _!2` ) $129 $1A39 "+ 53( =]3F 389 ) :928#>U ( W)> K9 6,3+< : HV)>%,( L!>]2030 B()*+ bC! >1 .6 #! KME"P >!"a ) c38! 53...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2011
ISSN: 1600-5368
DOI: 10.1107/s1600536811034763