scholarly journals Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase

2014 ◽  
Vol 141 (18) ◽  
pp. 181101 ◽  
Author(s):  
Mariana Rossi ◽  
Hanchao Liu ◽  
Francesco Paesani ◽  
Joel Bowman ◽  
Michele Ceriotti
Keyword(s):  
Condensed Phase ◽  
Vibrational Spectra ◽  
Quantum Dynamics ◽  
Dynamics Simulation ◽  
Simulation Methods

5-Arylpyrimido-[4,5-b]quinoline-diones as new and sustainable corrosion inhibitors for mild steel in 1 M HCl: a combined experimental and theoretical approach

RSC Advances ◽  
2016 ◽  
Vol 6 (19) ◽  
pp. 15639-15654 ◽  
Author(s):  
Chandrabhan Verma ◽  
L. O. Olasunkanmi ◽  
I. B. Obot ◽  
Eno E. Ebenso ◽  
M. A. Quraishi
Keyword(s):  
Molecular Dynamics ◽  
Weight Loss ◽  
Molecular Dynamics Simulation ◽  
Mild Steel ◽  
Quantum Chemical ◽  
Corrosion Inhibitors ◽  
Steel Corrosion ◽  
Dynamics Simulation ◽  
Simulation Methods ◽  
Mild Steel Corrosion

The inhibition of mild steel corrosion in 1 M HCl by four 5-arylpyrimido-[4,5-b]-quinoline-diones has been investigated using weight loss, electrochemical, surface, and quantum chemical calculations and molecular dynamics simulation methods.

Sign in / Sign up

Export Citation Format

Share Document