Ab initio study of the structure of radical cations derived from H-bonded complexes: A comparison between [H2CO · H2O]+· and [H2CO · HF]+·
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference54 articles.
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1. Blue-Shifted A−H Stretching Modes and Cooperative Hydrogen Bonding. 1. Complexes of Substituted Formaldehyde with Cyclic Hydrogen Fluoride and Water Clusters;The Journal of Physical Chemistry A;2007-07-28
2. The ionic isomerization [HCOH]+→[CH2O]+: proton-transport catalysis by CO and CO2;Chemical Physics Letters;2004-03
3. Effects of Neutral Bases on the Isomerization of Conventional Radical Cations CH3X•+ to Their Distonic Isomers •CH2X+H (X = F, OH, NH2): Proton-Transport Catalysis and Other Mechanisms;Journal of the American Chemical Society;1997-10-01
4. Density Functional Theory: A Useful Tool for the Study of Free Radicals;Advances in Quantum Chemistry;1997
5. Density functional study of isomerization of fluoro- and chloroformaldehyde radical cations;Journal of Computational Chemistry;1996-08
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