Concepedia
Applied Surface Science · 2023 · 10 citations · 82 references
82
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.7K citations
Engineering, Computational Chemistry, Chemistry +16
Quantitative measurement of displacement and strain fields from HREM micrographs
Martin Hÿtch, E. Snoeck, R. Kilaas · Ultramicroscopy · 1998 · 2.6K citations
Engineering, Micromechanics, Strain Localization +10
A generalized synchronous transit method for transition state location
Niranjan Govind, Max Petersen, George Fitzgerald et al. · Computational Materials Science · 2003 · 1.3K citations
Transport Network Analysis, Synchronization Protocol, Systems Engineering +3
Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity
Daniel H. Ess, K. N. Houk · Journal of the American Chemical Society · 2007 · 966 citations
Chemical Thermodynamics, Engineering, Theoretical Inorganic Chemistry +15
The activation strain model of chemical reactivity
Willem‐Jan van Zeist, F. Matthias Bickelhaupt · Organic & Biomolecular Chemistry · 2010 · 693 citations