Recycling Propellants in Nonpolluting Supercritical Fluids: Novel Computational Chemistry Models for Predicting Effective Solvents

1998 ◽  
Author(s):  
Betsy M. Rice ◽  
Cary F. Chabalowski
Keyword(s):  
Computational Chemistry ◽  
Supercritical Fluids

FLUID PROPERTY VARIATION ANALYSIS IN A HEAT EXCHANGER USING SUPERCRITICAL FLUIDS

2020 ◽  
Author(s):  
K H Jyothiprakash ◽  
Agniv Saha ◽  
Arihant Kumar Patawari ◽  
K. N. Seetharamu
Keyword(s):  
Heat Exchanger ◽  
Supercritical Fluids ◽  
Variation Analysis ◽  
Property Variation ◽  
Fluid Property

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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