Synthesis, Structure, and Molecular Orbital Calculation of the Bicapped Triangular Molybdenum Cluster Complex [Mo3S5(PMe3)6]

1995 ◽  
Vol 34 (13) ◽  
pp. 3404-3409 ◽  
Author(s):  
Kiyoshi Tsuge ◽  
Hideo Imoto ◽  
Taro Saito
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculation ◽  
Cluster Complex ◽  
Molybdenum Cluster

Parallel Fock Matrix Construction Algorithm for Molecular Orbital Calculation Specific Computer

2006 ◽  
Vol 5 (1) ◽  
pp. 179-188
Author(s):  
Hiroaki UMEDA ◽  
Yuichi INADOMI ◽  
Hiroaki HONDA ◽  
Umpei NAGASHIMA
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculation ◽  
Construction Algorithm ◽  
Matrix Construction

CNDO/2 Molecular orbital calculation of the Dewar structure of benzene

1972 ◽  
Vol 12 (3) ◽  
pp. 492-494 ◽  
Author(s):  
Zdzisław Latajka ◽  
Henryk Ratajczak ◽  
W.J. Orville-Thomas ◽  
Emil Ratajczak
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculation

Molecular orbital calculation of biomolecules with fragment molecular orbitals

2009 ◽  
Vol 476 (1-3) ◽  
pp. 104-108 ◽  
Author(s):  
Shinji Tsuneyuki ◽  
Tomoki Kobori ◽  
Kazuto Akagi ◽  
Keitaro Sodeyama ◽  
Kiyoyuki Terakura ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculation ◽  
Molecular Orbitals

scholarly journals Simulation of crystal and electronic structures of octahedral molybdenum cluster complex compound Cs2[Mo6Cl14] using various DFT functionals

2017 ◽  
Vol 125 (10) ◽  
pp. 753-759
Author(s):  
Norio SAITO ◽  
Pierric LEMOINE ◽  
Stéphane CORDIER ◽  
Takeo OHSAWA ◽  
Yoshiki WADA ◽  
...  
Keyword(s):  
Complex Compound ◽  
Electronic Structures ◽  
Cluster Complex ◽  
Molybdenum Cluster
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