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dihydroazulene

National Institutes of Health

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Azulenes

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2017
2017
Quantum Monte Carlo for accurate energies and materials design
Quantum Monte Carlo (QMC) is an electronic structure calculation method that is capable of calculating incredibly accurate… 
2017
2017
Accurate Isomerization Enthalpy and Investigation of the Errors in Density Functional Theory for DHA/ VHF Photochromism Using Diffusion Monte Carlo
We investigate the isomerization enthalpy of the Dihydroazulene/Vinylheptafulvene (DHA/VHF) molecular photoswitch system… 
2017
2017
A Sequential-QM / MM study of the electronic spectra of the dihydroazulene / Vinylheptafulvene molecular switch
2015
2015
Abstract Submitted for the MAR15 Meeting of The American Physical Society Thermochemistry and Charge Delocalization in Cyclization Re- actions Using Accurate Quantum Monte Carlo Calculations KAYAHAN…
Submitted for the MAR15 Meeting of The American Physical Society Thermochemistry and Charge Delocalization in Cyclization… 
2012
2012
Assessment of the accuracy of DFT ( Density Functional Theory ) for the Photochromic Behavior of ARCHVEZ Dihydroazulene ( DHA )
Efficient utilization of the sun as a renewable and clean energy source is one of the greatest goals and challenges of this… 
2005
2005
Molecular switches based on Dihydroazulene/Vinylheptafulvene photochromism
This work reports on the synthesis of new dihydroazulene/vinylheptafulvene systems and on the study of their photochromic and… 
1995
1995
DIHYDROAZULENE/VINYLHEPTAFULVENE PHOTOCHROMISM: EFFECT OF PI -ARYLENES ON THE SWITCHUNG BEHAVIOR