The structure and energies of lithium microclusters containing 3-10 atoms in the body-centered cubic (100) and body-centered cubic (110) surface symmetries were examined by molecular dynamics simulation at 1 K. The interaction of an oxygen atom and a hydrogen atom with these microclusters was analyzed for the on-top, open and bridge sites
To make a practical molecular dynamics (MD) simulation of the large-scale reactive chemical systems ...
Density based molecular dynamics has been used to investigate the ground state structures of heterog...
The ab initio calculation of the interaction forces between the LiH+ molecular ion, at its equilibri...
INITIO; SURFACEWe have investigated the structures and energies of lithium microclusters containing ...
We have investigated the structure and energies of lithium microclusters containing 3-10 atoms in th...
Molecular dynamic simulation method (MDSM) was used for investigating lithium atom interactions and ...
The energy and structural changes of lithium microclusters based on temperature has been investigate...
The energy and structural changes of lithium microclusters based on temperature has been investigate...
There is at present great interest in the properties of ultracold molecules. Molecules are created i...
The Li–N–H system (lithium compounds with nitrogen and/or hydrogen based anions) is a promising fami...
Both structural and dynamical properties of 7Li at 470 and 843 K are studied by molecular dynamics s...
To make a practical molecular dynamics (MD) simulation of the large-scale reactive chemical systems ...
This paper explores the interactions between Li and oxygen in their van der Waals state for the stud...
Molecular Orbital Bond Index (MOBI) calculations have been carried out on selected organolithium tet...
© 2018, Pleiades Publishing, Inc. It is generally accepted that the complicated character of the int...
To make a practical molecular dynamics (MD) simulation of the large-scale reactive chemical systems ...
Density based molecular dynamics has been used to investigate the ground state structures of heterog...
The ab initio calculation of the interaction forces between the LiH+ molecular ion, at its equilibri...
INITIO; SURFACEWe have investigated the structures and energies of lithium microclusters containing ...
We have investigated the structure and energies of lithium microclusters containing 3-10 atoms in th...
Molecular dynamic simulation method (MDSM) was used for investigating lithium atom interactions and ...
The energy and structural changes of lithium microclusters based on temperature has been investigate...
The energy and structural changes of lithium microclusters based on temperature has been investigate...
There is at present great interest in the properties of ultracold molecules. Molecules are created i...
The Li–N–H system (lithium compounds with nitrogen and/or hydrogen based anions) is a promising fami...
Both structural and dynamical properties of 7Li at 470 and 843 K are studied by molecular dynamics s...
To make a practical molecular dynamics (MD) simulation of the large-scale reactive chemical systems ...
This paper explores the interactions between Li and oxygen in their van der Waals state for the stud...
Molecular Orbital Bond Index (MOBI) calculations have been carried out on selected organolithium tet...
© 2018, Pleiades Publishing, Inc. It is generally accepted that the complicated character of the int...
To make a practical molecular dynamics (MD) simulation of the large-scale reactive chemical systems ...
Density based molecular dynamics has been used to investigate the ground state structures of heterog...
The ab initio calculation of the interaction forces between the LiH+ molecular ion, at its equilibri...
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