Heather B. Mayes

Best Practices for Foundations in Molecular Simulations [Article v1.0]

Efrem Braun, Justin Gilmer, Heather B. Mayes et al. · Living Journal of Computational Molecular Science · 2018 · 259 citations · Full text

Natural Sciences, Chemistry, Physics +12

Unraveling the Reactions that Unravel Cellulose

Heather B. Mayes, Linda J. Broadbelt · The Journal of Physical Chemistry A · 2012 · 208 citations

Pharmacy, Chemical Engineering, Chemistry +17

Experimental and Mechanistic Modeling of Fast Pyrolysis of Neat Glucose-Based Carbohydrates. 1. Experiments and Development of a Detailed Mechanistic Model

Xiaowei Zhou, Michael W. Nolte, Heather B. Mayes et al. · Industrial & Engineering Chemistry Research · 2014 · 188 citations · Full text

Life Sciences, Chemical Engineering, Carbohydrate Biochemistry +14

How Sugars Pucker: Electronic Structure Calculations Map the Kinetic Landscape of Five Biologically Paramount Monosaccharides and Their Implications for Enzymatic Catalysis

Heather B. Mayes, Linda J. Broadbelt, Gregg T. Beckham · Journal of the American Chemical Society · 2013 · 165 citations · Full text

Life Sciences, Biochemistry, Chemistry +17

The Alpha–Bet(a) of Glucose Pyrolysis: Computational and Experimental Investigations of 5-Hydroxymethylfurfural and Levoglucosan Formation Reveal Implications for Cellulose Pyrolysis

Heather B. Mayes, Michael W. Nolte, Gregg T. Beckham et al. · ACS Sustainable Chemistry & Engineering · 2014 · 139 citations · Full text

Pharmacy, Chemical Engineering, Chemistry +15