Structural evolution of small gold clusters doped by one and two boron atoms
作者： Rafael Grande-Aztatzi , Paulina R. Martínez-Alanis , José Luis Cabellos , Edison Osorio , Ana Martínez
DOI: 10.1002/JCC.23748
关键词:
摘要: … Li and Li have analyzed in detail the first four clusters of this series via B3LYP/SDD computations.17 The global minimum structures computed at the PBE0/def2-TZVP are in agreement …
sci-hub.se 参考文章(64)
Young-Kyu Han, Structure of Au8: Planar or nonplanar? The Journal of Chemical Physics. ,vol. 124, pp. 024316- 024316 ,(2006) , 10.1063/1.2150814
M. Heinebrodt, N. Malinowski, F. Tast, W. Branz, I. M. L. Billas, T. P. Martin, Bonding character of bimetallic clusters AunXm(X=Al, In, Cs) Journal of Chemical Physics. ,vol. 110, pp. 9915- 9921 ,(1999) , 10.1063/1.478865
P. Jeffrey Hay, Willard R. Wadt, Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals Journal of Chemical Physics. ,vol. 82, pp. 299- 310 ,(1985) , 10.1063/1.448975
Paul Mulvaney, Surface Plasmon Spectroscopy of Nanosized Metal Particles Langmuir. ,vol. 12, pp. 788- 800 ,(1996) , 10.1021/LA9502711
Chiranjib Majumder, Anil K. Kandalam, Puru Jena, Structure and bonding of Au5M (M=Na, Mg, Al, Si, P, and S) clusters Physical Review B. ,vol. 74, pp. 205437- ,(2006) , 10.1103/PHYSREVB.74.205437
Ilya V. Yudanov, Riadh Sahnoun, Konstantin M. Neyman, Notker Rösch, Jens Hoffmann, Swetlana Schauermann, Viktor Johánek, Holger Unterhalt, Günther Rupprechter, Jörg Libuda, Hans-Joachim Freund, CO Adsorption on Pd Nanoparticles: Density Functional and Vibrational Spectroscopy Studies Journal of Physical Chemistry B. ,vol. 107, pp. 255- 264 ,(2003) , 10.1021/JP022052B
Hannu Häkkinen, Bokwon Yoon, Uzi Landman, Xi Li, Hua-Jin Zhai, Lai-Sheng Wang, On the Electronic and Atomic Structures of Small AuN- (N = 4−14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study Journal of Physical Chemistry A. ,vol. 107, pp. 6168- 6175 ,(2003) , 10.1021/JP035437I
Eva M. Fernández, José M. Soler, Luis C. Balbás, Planar and cagelike structures of gold clusters: Density-functional pseudopotential calculations Physical Review B. ,vol. 73, pp. 235433- ,(2006) , 10.1103/PHYSREVB.73.235433
Florian Weigend, Reinhart Ahlrichs, Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Physical Chemistry Chemical Physics. ,vol. 7, pp. 3297- 3305 ,(2005) , 10.1039/B508541A
Peter Schwerdtfeger, Gold Goes Nano—From Small Clusters to Low-Dimensional Assemblies Angewandte Chemie International Edition. ,vol. 42, pp. 1892- 1895 ,(2003) , 10.1002/ANIE.200201610