Computational and electrochemical analysis on quinoxalines as corrosion inhibitors for mild steel in acidic medium

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

Natural Sciences, Chemistry, Physics +17

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

Natural Sciences, Chemistry, Physics +11

Molecular Orbital Theoretical Studies of Some Organic Corrosion Inhibitors

V. S. Sastri, Jayarama R. Perumareddi · CORROSION · 1997 · 631 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Some Quinoxalin-6-yl Derivatives as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid: Experimental and Theoretical Studies

Lukman O. Olasunkanmi, I.B. Obot, Mwadham M. Kabanda et al. · The Journal of Physical Chemistry C · 2015 · 489 citations

Natural Sciences, Materials Engineering, Materials Science +17

Monte Carlo methods in Materials Studio

Reinier Akkermans, Neil A. Spenley, Struan H. Robertson · Molecular Simulation · 2013 · 434 citations

Natural Sciences, Chemistry, Materials Science +17