Elongated dihydrogen complexes: A combined electronic DFT + nuclear dynamics study of the [Ru(H···H)(C₅HJ₅)(H₂PCH₂PH₂)]⁺ complexes

Chemistry

• Density Functional Theory 100%
• Dihydrogen 100%
• Hydrogen 66%
• Electronic State 66%
• Ligand 66%
• Neutron Diffraction 33%
• Nuclear Motions Calculation 33%
• Excited Vibrational State 33%
• Reaction Temperature 33%
• Concentration 33%
• Coupling Constant 33%

Biochemistry, Genetics and Molecular Biology

• Density 100%
• Dynamics 100%
• Neutron Diffraction 50%
• Coupling Constant 50%
• Temperature Dependence 50%
• Rest 50%
• Motion 50%