most citedA First Principles Density-Functional Calculation of the Electronic and Vibrational Structure of the Key Melanin Monomers

170 citations · 171 across the 2 of their papers we have counts for

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2 papers

q-bio.BM2004★ 170 cited

A First Principles Density-Functional Calculation of the Electronic and Vibrational Structure of the Key Melanin Monomers

B. J. Powell, T. Baruah, N. Bernstein +4

We report first principles density functional calculations for hydroquinone (HQ), indolequinone (IQ) and semiquinone (SQ). These molecules are believed to be the basic building blo…

cond-mat.supr-con2003★ 1 cited

First-principle density-functional calculation of the Raman spectra of BEDT-TTF

K. Brake, B. J. Powell, R. H. McKenzie +2

We present a first-principles density-functional calculation for the Raman spectra of a neutral BEDT-TTF molecule. Our results are in excellent agreement with experimental results.…