Anita M. Orendt

Report on the sixth blind test of organic crystal structure prediction methods

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 593 citations · Full text

Crystal Structure, Engineering, Organic Chemistry +16

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

David A. Bardwell, Claire S. Adjiman, Yelena A. Arnautova et al. · Acta Crystallographica Section B Structural Science · 2011 · 426 citations · Full text

Materials Science, Crystal Structure, Engineering +14

Quantum mechanically derived AMBER‐compatible heme parameters for various states of the cytochrome P450 catalytic cycle

Kiumars Shahrokh, Anita M. Orendt, Garold S. Yost et al. · Journal of Computational Chemistry · 2011 · 299 citations · Full text

Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules

Alvin J. Beeler, Anita M. Orendt, David M. Grant et al. · Journal of the American Chemical Society · 1984 · 151 citations

Engineering, Molecule-based Magnet, Physics +13

Three-Dimensional Structure of the Siskin Green River Oil Shale Kerogen Model: A Comparison between Calculated and Observed Properties

Anita M. Orendt, Ian S. O. Pimienta, Shyam Badu et al. · Energy & Fuels · 2012 · 107 citations

Engineering, Mechanical Engineering, Material Simulation +23