mndo study of nitrogen atom inversion in piperazine, n,n'-dimethylpiperazine and n,n'-dichloropiperazine
Authors
abstract
mndo semi-empirical scf mo calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.
similar resources
MNDO Study of Nitrogen Atom Inversion in Piperazine, N,N'-Dimethylpiperazine and N,N'-Dichloropiperazine
MNDO semi-empirical SCF MO calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.
full textGauge - invariant formulation of NN → NN γ
H. Haberzettl1,* and K. Nakayama2,3,† 1Institute for Nuclear Studies and Department of Physics, The George Washington University, Washington, DC 20052, USA 2Department of Physics and Astronomy, University of Georgia, Athens, GA 30602, USA 3Institut für Kernphysik and Jülich Center for Hadron Physics, Forschungszentrum Jülich, 52425 Jülich, Germany (Received 8 November 2010; revised manuscript r...
full textQTAIM study of Bonding and Structure of Pure Atomic Clusters,Part III : Nn Clusters (n= 4,6)
DFT and QTAIM computations have been performed on numbers of pure nitrogen cluster speciesi.e. Nn (n = 4, 6) for investigating the structure and bonding. This study is critical since thesemolecules have been nominated as the good synthetic targets of High Energy Materials (HEM).0nthe other hand the decomposition mechanism is closely depends on the bonding pattern. Thislatter concept was searche...
full textFast k-NN search
Random projection trees have proven to be effective for approximate nearest neighbor searches in high dimensional spaces where conventional methods are not applicable due to excessive usage of memory and computational time. We show that building multiple trees on the same data can improve the performance even further, without significantly increasing the total computational cost of queries when...
full textnN Backward Scattering
nN backward scattering data above 5 GeV /c are analyzed in terms of the baryon Regge pole exchange and accompanying Regge cut due to the strong absorption. The fit of the cross sections is reasonable. The role of the cut turns out to be very important: (1) The extrapolated magnitude of the L10 residue at a 4 =! is significantly larger than that without the cut. Ll0 residue with or without the w...
full textNN Scattering Problem
It is shown that chiral perturbation theory (in its original form by Wein-berg) can describe N N scattering with positive as well as negative effective range. Some issues connected with unnaturally large N N 1 S 0 scattering length are discussed. The chiral perturbation theory approach to the low-energy purely pionic processes [1] has been generalised for processes involving an arbitrary number...
full textMy Resources
Save resource for easier access later
Journal title:
iranian journal of chemistry and chemical engineering (ijcce)Publisher: iranian institute of research and development in chemical industries (irdci)-acecr
ISSN 1021-9986
volume 16
issue 2 1997
Hosted on Doprax cloud platform doprax.com
copyright © 2015-2023