Geometrical and Electronic Structure of the Pt7Cluster:  A Density Functional Study

Wei Quan Tian; Maofa Ge; B. R. Sahu; Dianxun Wang; Toshiki Yamada; Shinro Mashiko

doi:10.1021/jp0498365

Geometrical and Electronic Structure of the Pt7Cluster: A Density Functional Study

The Journal of Physical Chemistry A ◽

10.1021/jp0498365 ◽

2004 ◽

Vol 108 (17) ◽

pp. 3806-3812 ◽

Cited By ~ 40

Author(s):

Wei Quan Tian ◽

Maofa Ge ◽

B. R. Sahu ◽

Dianxun Wang ◽

Toshiki Yamada ◽

...

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text

Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

Download Full-text

Electronic structure and related properties of Mo–W: a density functional study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/20/25/255208 ◽

2008 ◽

Vol 20 (25) ◽

pp. 255208

Author(s):

H R Gong ◽

Kyeongjae Cho

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text

Molecular and electronic structure of 1,2-disilacyclobutabenzenes. Ab initio molecular orbital and density functional study

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(96)06438-8 ◽

1996 ◽

Vol 524 (1-2) ◽

pp. 107-114 ◽

Cited By ~ 7

Author(s):

M. Eckert-Maksic´ ◽

Z. Glasovac ◽

M. Hodosˇcˇek ◽

A. Lesar ◽

Z.B. Maksic´

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Molecular Orbital ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Molecular And Electronic Structure

Download Full-text

Density-functional study ofScn(n=2–16)clusters: Lowest-energy structures, electronic structure, and magnetism

Physical Review B ◽

10.1103/physrevb.74.144434 ◽

2006 ◽

Vol 74 (14) ◽

Cited By ~ 43

Author(s):

H. K. Yuan ◽

H. Chen ◽

A. S. Ahmed ◽

J. F. Zhang

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text

Hydrogen adsorption and dissociation on small platinum clusters: An electronic structure density functional study

Physical Review B ◽

10.1103/physrevb.74.195407 ◽

2006 ◽

Vol 74 (19) ◽

Cited By ~ 18

Author(s):

M. N. Huda ◽

Leonard Kleinman

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Hydrogen Adsorption ◽

Functional Study ◽

Density Functional Study ◽

Platinum Clusters ◽

Structure Density ◽

Adsorption And Dissociation

Download Full-text

Density functional study on geometry and electronic structure of nitrile hydratase active site model

International Journal of Quantum Chemistry ◽

10.1002/qua.10332 ◽

2002 ◽

Vol 90 (3) ◽

pp. 1174-1187 ◽

Cited By ~ 9

Author(s):

W. Nowak ◽

Y. Ohtsuka ◽

J. Hasegawa ◽

H. Nakatsuji

Keyword(s):

Electronic Structure ◽

Active Site ◽

Density Functional ◽

Nitrile Hydratase ◽

Functional Study ◽

Density Functional Study ◽

Site Model ◽

Active Site Model

Download Full-text

Density functional study of ACa2Fe4As4F2 (A = K, Rb): Electronic structure, unconventional superconductors

10.1063/1.5052071 ◽

2018 ◽

Author(s):

Birender Singh ◽

Pradeep Kumar

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Unconventional Superconductors

Download Full-text

Electronic structure and lattice vibrations ofCa2CuO2Cl2: A hybrid density functional study

Physical Review B ◽

10.1103/physrevb.77.115111 ◽

2008 ◽

Vol 77 (11) ◽

Cited By ~ 3

Author(s):

C. H. Patterson

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Lattice Vibrations ◽

Density Functional Study ◽

Hybrid Density Functional

Download Full-text