Density Functional Theory Study of Transition-Metal Compounds Containing Metal−Metal Bonds. 2. Molecular Structures and Vibrational Spectra of Dinuclear Tetracarboxylate Compounds of Molybdenum and Rhodium

1998 ◽  
Vol 120 (14) ◽  
pp. 3387-3397 ◽  
Author(s):  
F. Albert Cotton ◽  
Xuejun Feng
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Vibrational Spectra ◽  
Density Functional ◽  
Molecular Structures ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Metal Compounds ◽  
Metal Metal ◽  
Metal Bonds

Density Functional Theory Study of Molecular Structures and Vibrational Spectra of 3,4- and 2,3-Pyridyne

1996 ◽  
Vol 100 (9) ◽  
pp. 3430-3434 ◽  
Author(s):  
Ruifeng Liu ◽  
Dennis R. Tate ◽  
Jeffrey A. Clark ◽  
Paula R. Moody ◽  
Alex S. Van Buren ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Vibrational Spectra ◽  
Density Functional ◽  
Molecular Structures ◽  
Density Functional Theory Study ◽  
Functional Theory

scholarly journals Magnetism of 3d transition metal monolayers on Pd(001) surface: density functional theory study

2005 ◽  
Vol 54 (12) ◽  
pp. 5849
Author(s):  
Zhao Xin-Xin ◽  
Tao Xiang-Ming ◽  
Chen Wen-Bin ◽  
Cai Jian-Qiu ◽  
Tan Ming-Qiu
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Surface Density ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

Effect of Transition Metal Dopants on Initial Mass Transport in the Dehydrogenation of NaAlH4: Density Functional Theory Study

2012 ◽  
Vol 117 (1) ◽  
pp. 3-14 ◽  
Author(s):  
Ali Marashdeh ◽  
Jan-Willem I. Versluis ◽  
Álvaro Valdés ◽  
Roar A. Olsen ◽  
Ole Martin Løvvik ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Mass Transport ◽  
Density Functional ◽  
Initial Mass ◽  
Density Functional Theory Study ◽  
Functional Theory
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