D. J. DeFrees

Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements

William J. Pietro, Michelle Francl, Warren J. Hehre et al. · Journal of the American Chemical Society · 1982 · 1.2K citations

Natural Sciences, Chemistry, Computational Chemistry +7

Molecular orbital predictions of the vibrational frequencies of some molecular ions

D. J. DeFrees, A. D. McLean · The Journal of Chemical Physics · 1985 · 392 citations

Natural Sciences, Chemistry, Physics +17

Molecular orbital studies of vibrational frequencies

John A. Pople, H. Bernhard Schlegel, R. Krishnan et al. · International Journal of Quantum Chemistry · 2009 · 172 citations

Natural Sciences, Chemistry, Physics +15

Theoretical IR spectra of ionized naphthalene

F. Pauzat, D. Talbi, Michael D. Miller et al. · The Journal of Physical Chemistry · 1992 · 98 citations

Natural Sciences, Chemistry, Organic Chemistry +11

AB initio molecular orbital studies of low-energy, metastable isomers of the ubiquitous cyclopropenylidene

D. J. DeFrees, A. D. McLean · The Astrophysical Journal · 1986 · 94 citations

Natural Sciences, Chemistry, Physics +14