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PPV Polymerization through the Gilch Route: Diradical Character of Monomers
Online Contents | 2015| -
Reliably modeling the mechanical stability of rigid and flexible metal-organic frameworks
Free accessBASE | 2017| -
Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks
American Chemical Society | 2018| -
The electronegativity equalization method and the split charge equilibration applied to organic systems: Parametrization, validation, and comparison
National licenceAmerican Institute of Physics | 2009| -
The Monomer Electron Density Force Field (MEDFF): A Physically Inspired Model for Noncovalent Interactions
American Chemical Society | 2017| -
Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediates
National licenceRoyal Society of Chemistry | 2009| -
Universal descriptors for zeolite topology and acidity to predict the stability of butene cracking intermediates
Royal Society of Chemistry | 2023| -
On quasiparticle interactions in the spherical N = 82 doubly even nuclei
National licenceElsevier | 1970| -
Cluster or periodic, static or dynamic—the challenge of calculating the g tensor of the solid-state glycine radical
National licenceRoyal Society of Chemistry | 2011| -
Ab Initio Evaluation of Henry Coefficients Using Importance Sampling
American Chemical Society | 2018| -
Study of Rhamnose Radicals in the Solid State Adopting a Density Functional Theory Cluster Approach
American Chemical Society | 2006|
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