A Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon Tetrachloride Mixtures III: Nonequilibrium Hydrogen-Bond Dynamics and Infrared Pump–Probe Spectra

2013 ◽  
Vol 117 (25) ◽  
pp. 7737-7749 ◽  
Author(s):  
Kijeong Kwac ◽  
Eitan Geva
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Carbon Tetrachloride ◽  
Pump Probe ◽  
Classical Molecular Dynamics ◽  
Hydrogen Bond Dynamics

Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: Car–Parrinello Molecular Dynamics and Vibrational Spectroscopy Study

2011 ◽  
Vol 115 (19) ◽  
pp. 5999-6010 ◽  
Author(s):  
Jernej Stare ◽  
Janez Mavri ◽  
Jože Grdadolnik ◽  
Jernej Zidar ◽  
Zvonimir B. Maksić ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Hydrogen Bond ◽  
Vibrational Spectroscopy ◽  
Spectroscopy Study ◽  
Hydrogen Bond Dynamics
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