Abstract
In the framework of non-empirical Hartree-Fock-Roothaan method on the basis of gauss functions of Roos and Siegbahn made are calculations of different sections of potential surface elementary reaction of complexing LiH+BeH/sub 2/ ..-->.. LiBeH/sub 3/. Charts of potential surface are presented. Questions of the elementary mechanism of elementary processes of complexing and effect of mutual orientation of the reagents upon the reaction mechanism are considered. Stability of LiBeH/sub 3/ molecule to different dissociation channels and different aspects of structural non-rigidity of the L(MXsub(k+1)) complexes at super barrier excitation are discussed.
Charkin, O P;
Boldyrev, A I;
Sukhanov, L P
[1]
- AN SSSR, Chernogolovka. Inst. Novykh Khimicheskikh Problem
Citation Formats
Charkin, O P, Boldyrev, A I, and Sukhanov, L P.
Theoretical investigation of elementary reaction of complexing LiH+BeH/sub 2/. -->. LiBeH/sub 3/.
USSR: N. p.,
1979.
Web.
Charkin, O P, Boldyrev, A I, & Sukhanov, L P.
Theoretical investigation of elementary reaction of complexing LiH+BeH/sub 2/. -->. LiBeH/sub 3/.
USSR.
Charkin, O P, Boldyrev, A I, and Sukhanov, L P.
1979.
"Theoretical investigation of elementary reaction of complexing LiH+BeH/sub 2/. -->. LiBeH/sub 3/."
USSR.
@misc{etde_6904471,
title = {Theoretical investigation of elementary reaction of complexing LiH+BeH/sub 2/. -->. LiBeH/sub 3/}
author = {Charkin, O P, Boldyrev, A I, and Sukhanov, L P}
abstractNote = {In the framework of non-empirical Hartree-Fock-Roothaan method on the basis of gauss functions of Roos and Siegbahn made are calculations of different sections of potential surface elementary reaction of complexing LiH+BeH/sub 2/ ..-->.. LiBeH/sub 3/. Charts of potential surface are presented. Questions of the elementary mechanism of elementary processes of complexing and effect of mutual orientation of the reagents upon the reaction mechanism are considered. Stability of LiBeH/sub 3/ molecule to different dissociation channels and different aspects of structural non-rigidity of the L(MXsub(k+1)) complexes at super barrier excitation are discussed.}
journal = []
volume = {5:12}
journal type = {AC}
place = {USSR}
year = {1979}
month = {Jan}
}
title = {Theoretical investigation of elementary reaction of complexing LiH+BeH/sub 2/. -->. LiBeH/sub 3/}
author = {Charkin, O P, Boldyrev, A I, and Sukhanov, L P}
abstractNote = {In the framework of non-empirical Hartree-Fock-Roothaan method on the basis of gauss functions of Roos and Siegbahn made are calculations of different sections of potential surface elementary reaction of complexing LiH+BeH/sub 2/ ..-->.. LiBeH/sub 3/. Charts of potential surface are presented. Questions of the elementary mechanism of elementary processes of complexing and effect of mutual orientation of the reagents upon the reaction mechanism are considered. Stability of LiBeH/sub 3/ molecule to different dissociation channels and different aspects of structural non-rigidity of the L(MXsub(k+1)) complexes at super barrier excitation are discussed.}
journal = []
volume = {5:12}
journal type = {AC}
place = {USSR}
year = {1979}
month = {Jan}
}