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Frustrated and Allowed Structural Transitions: The Theory-Guided Discovery of the Modulated Structure of IrSi

Journal of the American Chemical Society

Nov 25, 2019

Hillary E Mitchell Warden, Daniel Clifford Fredrickson

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Abstract

To the experienced molecular chemist, predicting the geometries and reactivities of a system is an exercise in balancing simple concepts such as sterics and electronics. In this Article, we illustrate how recent theoretical developments can give this combination of concepts a similar pr...read more

Mentioned in this Paper

Electrons
Iridium
Silicon
X-Ray Diffraction
Dementia of Frontal Lobe Type
Modulated
Patterns
Structure
Analysis
Cps-6 protein, C elegans
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Frustrated and Allowed Structural Transitions: The Theory-Guided Discovery of the Modulated Structure of IrSi

Journal of the American Chemical Society

Nov 25, 2019

Hillary E Mitchell Warden, Daniel Clifford Fredrickson

PMID: 31697079

DOI: 10.1021/jacs.9b10473

Abstract

To the experienced molecular chemist, predicting the geometries and reactivities of a system is an exercise in balancing simple concepts such as sterics and electronics. In this Article, we illustrate how recent theoretical developments can give this combination of concepts a similar pr...read more

Mentioned in this Paper

Electrons
Iridium
Silicon
X-Ray Diffraction
Dementia of Frontal Lobe Type

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