D 3h CN 3Be 3 + and CO 3Li 3 +: Viable planar hexacoordinate carbon prototypes

Yan Bo Wu, Yan Duan, Gang Lu, Hai Gang Lu, Pin Yang, Paul Von Ragué Schleyer, Gabriel Merino, Rafael Islas, Zhi Xiang Wang

Resultado de la investigación: Article

25 Citas (Scopus)

Resumen

Searches for planar hexacoordinate carbon (phC) species comprised of only seven atoms uncovered good CX 3M 3 prototypes, D 3h CN 3Be 3 + and CO 3Li 3 +. The latter is the global minimum. It might also be possible to detect the deep-lying kinetically-viable D 3h CN 3Be 3 + local minimum, based on its robustness toward molecular dynamic simulations and its very high isomerization barrier. This journal is

Idioma originalEnglish
Páginas (desde-hasta)14760-14763
Número de páginas4
PublicaciónPhysical Chemistry Chemical Physics
Volumen14
N.º43
DOI
EstadoPublished - 21 nov 2012

Huella dactilar

Carbon Monoxide
Isomerization
Molecular dynamics
Carbon
prototypes
Atoms
carbon
Computer simulation
isomerization
molecular dynamics
atoms
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Citar esto

Wu, Y. B., Duan, Y., Lu, G., Lu, H. G., Yang, P., Schleyer, P. V. R., ... Wang, Z. X. (2012). D 3h CN 3Be 3 + and CO 3Li 3 +: Viable planar hexacoordinate carbon prototypes. Physical Chemistry Chemical Physics, 14(43), 14760-14763. https://doi.org/10.1039/c2cp41822c
Wu, Yan Bo ; Duan, Yan ; Lu, Gang ; Lu, Hai Gang ; Yang, Pin ; Schleyer, Paul Von Ragué ; Merino, Gabriel ; Islas, Rafael ; Wang, Zhi Xiang. / D 3h CN 3Be 3 + and CO 3Li 3 + : Viable planar hexacoordinate carbon prototypes. En: Physical Chemistry Chemical Physics. 2012 ; Vol. 14, N.º 43. pp. 14760-14763.
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abstract = "Searches for planar hexacoordinate carbon (phC) species comprised of only seven atoms uncovered good CX 3M 3 prototypes, D 3h CN 3Be 3 + and CO 3Li 3 +. The latter is the global minimum. It might also be possible to detect the deep-lying kinetically-viable D 3h CN 3Be 3 + local minimum, based on its robustness toward molecular dynamic simulations and its very high isomerization barrier. This journal is",
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Wu, YB, Duan, Y, Lu, G, Lu, HG, Yang, P, Schleyer, PVR, Merino, G, Islas, R & Wang, ZX 2012, 'D 3h CN 3Be 3 + and CO 3Li 3 +: Viable planar hexacoordinate carbon prototypes', Physical Chemistry Chemical Physics, vol. 14, n.º 43, pp. 14760-14763. https://doi.org/10.1039/c2cp41822c

D 3h CN 3Be 3 + and CO 3Li 3 + : Viable planar hexacoordinate carbon prototypes. / Wu, Yan Bo; Duan, Yan; Lu, Gang; Lu, Hai Gang; Yang, Pin; Schleyer, Paul Von Ragué; Merino, Gabriel; Islas, Rafael; Wang, Zhi Xiang.

En: Physical Chemistry Chemical Physics, Vol. 14, N.º 43, 21.11.2012, p. 14760-14763.

Resultado de la investigación: Article

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T2 - Viable planar hexacoordinate carbon prototypes

AU - Wu, Yan Bo

AU - Duan, Yan

AU - Lu, Gang

AU - Lu, Hai Gang

AU - Yang, Pin

AU - Schleyer, Paul Von Ragué

AU - Merino, Gabriel

AU - Islas, Rafael

AU - Wang, Zhi Xiang

PY - 2012/11/21

Y1 - 2012/11/21

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