A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase

A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase

We investigated the decomposition reaction mechanism of a molybdenum dithiocarbamate (MoDTC) molecule using computational chemistry methods: density functional theory and hybrid quantum chemical/classical molecular dynamics methods. The density functional theory results showed that the linkage isome...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Takatoshi Shin-yoshi, Noriaki Nishino, Atsushi Suzuki, Akira Miyamoto
Formato: article
Lenguaje:EN
Publicado: Japanese Society of Tribologists 2008
Materias:
computational chemistry
density functional theory
hybrid quantum chemical/classical molecular dynamics method
modtc
isomerization
Physics
QC1-999
Engineering (General). Civil engineering (General)
TA1-2040
Mechanical engineering and machinery
TJ1-1570
Chemistry
QD1-999
Acceso en línea:https://doaj.org/article/a2405701f8164a348b216299dad2e6aa
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!

Internet

https://doaj.org/article/a2405701f8164a348b216299dad2e6aa

Ejemplares similares