Go to content
UR Home

Formation of Hydrogen Bonds in Complexes between Dimethylcuprate(I) Anion and Methane, Propane, or Dimethyl Ether. A Theoretical Study

Dem'yanov, P. I. ; Gschwind, R. M.



Abstract

Complexes of the neutral ligands methane, propane, and dimethyl ether (DME) with a dimethylcuprate(I) anion (DMCA) were studied using B3LYP and MP2 methods. The quantum theory of atoms in molecule and the second-order perturbation natural bond orbital analysis were applied to analyze the electron density distributions of these complexes and to elucidate the nature of weak closed-shell ...

plus


Owner only: item control page
  1. Homepage UR

University Library

Publication Server

Contact:

Publishing: oa@ur.de

Dissertations: dissertationen@ur.de

Research data: daten@ur.de

Contact persons