Computational Chemistry in France: A Historical Survey

2007 ◽  
pp. 367-380
Author(s):  
Jean-Louis Rivail ◽  
Bernard Maigret
Keyword(s):  
Computational Chemistry ◽  
Historical Survey

PROPULSION AND CATALYSIS - HISTORICAL SURVEY, UP-TO-DATE OVERVIEW, AND CURRENT CHALLENGES

2010 ◽  
Vol 9 (5) ◽  
pp. 413-436 ◽  
Author(s):  
Charles J. Kappenstein ◽  
Yann Batonneau ◽  
Rachid Brahmi ◽  
Laurence Pirault-Roy
Keyword(s):  
Historical Survey

A Brief Historical Survey of the Anatomophysiology of the Human Body

2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Sergio Musitelli ◽  
Maria Antonella Bertozzi
Keyword(s):  
Human Body ◽  
Historical Survey

Designs of Singlet Fission Chromophores with a Diazadiaborine Framework

2020 ◽  
Author(s):  
Ekadashi Pradhan ◽  
Jordan N. Bentley ◽  
Christopher B. Caputo ◽  
Tao Zeng
Keyword(s):  
Computational Chemistry ◽  
Singlet Fission ◽  
Diradical Character

This is a computational chemistry study in designing singlet fission chromophores based on a diazadiborine framework. Substitutions and additions are proposed to enhance diradical character of the diazadiborine so that the designed molecules satisfy the two energy criteria for singlet fission. Synthesizability of the designed molecules is discussed.

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