Nathalie Godbout

Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

Nathalie Godbout, Dennis R. Salahub, Jan Andzelm et al. · Canadian Journal of Chemistry · 1992 · 3K citations

Engineering, Part I. Boron, Magnetic Resonance +20

Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe−O₂and Fe−O₂Analogue Metalloporphyrins and Metalloproteins

Nathalie Godbout, Lori K. Sanders, Renzo Salzmann et al. · Journal of the American Chemical Society · 1999 · 123 citations

Inorganic Compound, Inorganic Chemistry, Chemical Engineering +10

An Experimental and Quantum Chemical Investigation of CO Binding to Heme Proteins and Model Systems:  A Unified Model Based on¹³C,¹⁷O, and⁵⁷Fe Nuclear Magnetic Resonance and⁵⁷Fe Mössbauer and Infrared Spectroscopies

Michael T. McMahon, Angel C. deDios, Nathalie Godbout et al. · Journal of the American Chemical Society · 1998 · 102 citations

Magnetic Resonance, Chemical Shift, Quantum Chemical Investigation +19

An Experimental and Density Functional Theoretical Investigation of Iron-57 Mössbauer Quadrupole Splittings in Organometallic and Heme-Model Compounds:  Applications to Carbonmonoxy-Heme Protein Structure

Robert H. Havlin, Nathalie Godbout, Renzo Salzmann et al. · Journal of the American Chemical Society · 1998 · 88 citations

Materials Science, Inorganic Chemistry, Engineering +11

Carbonyl Complexes of Iron(II), Ruthenium(II), and Osmium(II) 5,10,15,20-Tetraphenylporphyrinates:  A Comparative Investigation by X-ray Crystallography, Solid-State NMR Spectroscopy, and Density Functional Theory

Renzo Salzmann, Christopher J. Ziegler, Nathalie Godbout et al. · Journal of the American Chemical Society · 1998 · 81 citations

Inorganic Chemistry, Chemical Engineering, Engineering +12