Synthesis, characterization, and dyeing performance of Novel Bisazo disperse dyes: A combined spectroscopic and computational study

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 22.5K citations

Vibrational Absorption, Engineering, Altmetric Attention Score +16

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

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.2K citations

Density-Functional Theory of the Electronic Structure of Molecules

Robert G. Parr, Weitao Yang · Annual Review of Physical Chemistry · 1995 · 1.1K citations

Engineering, Physics, Natural Sciences +12

Azo dyes: past, present and the future

Amit Bafana, Sivanesan Saravana Devi, Tapan Chakrabarti · Environmental Reviews · 2011 · 699 citations

Chemical Engineering, Engineering, Dye Industry +12

Molecular Orbital Theoretical Studies of Some Organic Corrosion Inhibitors

V. S. Sastri, Jayarama R. Perumareddi · CORROSION · 1997 · 628 citations