Concepedia

Robert S. DeWitte

RS

6

Publications

533

Citations

6

H-Index

1991

Active since

Affiliations

Harvard University(Current)

Robert S. DeWitte is an author at Harvard University specializing in engineering, natural sciences, and quantum chemistry.

Top concepts

EngineeringChemistryNatural SciencesQuantum ChemistryComputational ChemistryPhysicsBiophysicsMolecular BiologyMedicineAir Quality

Publications per year

1991–2000

6

Publications

6

SMoG: de Novo Design Method Based on Simple, Fast, and Accurate Free Energy Estimates. 1. Methodology and Supporting Evidence

Robert S. DeWitte, Eugene I. Shakhnovich · Journal of the American Chemical Society · 1996 · 261 citations

Free Energy, Engineering, Energy Efficiency +20

Pseudodihedrals: Simplified protein backbone representation with knowledge‐based energy

Robert S. DeWitte, Eugene I. Shakhnovich · Protein Science · 1994 · 80 citations · Full text

SMoG: de Novo Design Method Based on Simple, Fast, and Accurate Free Energy Estimates. 2. Case Studies in Molecular Design

Robert S. DeWitte, Alexey Ishchenko, Eugene I. Shakhnovich · Journal of the American Chemical Society · 1997 · 69 citations

Trigonal Bipyramidal and Related Molecules of the Main Group Elements: Investigation of Apparent Exceptions to the VSEPR Model through the Analysis of the Laplacian of the Electron Density

R. J. Gillespie, Ian Bytheway, Robert S. DeWitte et al. · Inorganic Chemistry · 1994 · 45 citations

Electron Density, Molecular Sciences, Engineering +14

Development of a Knowledge-Based Potential for Crystals of Small Organic Molecules: Calculation of Energy Surfaces for C=0···H−N Hydrogen Bonds

Bartosz A. Grzybowski, Alexey Ishchenko, Robert S. DeWitte et al. · The Journal of Physical Chemistry B · 2000 · 41 citations

Small Organic Molecules, Engineering, Knowledge-based Potential +15

Rows per page

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