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Dear Members, I am trying to optimize for triplet state of organometallic molecule in solvent but encounter convergence problems I didnot know how to solve. The optimization energy keeps...
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Dear colleagues, I am new in the OLED field and just make some research about the field. Therefore I have some questions I want to confirm. I want to investigate the absorption and emission of...
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Dear Researchgate community members,I have a question regarding physics. We tried to do a calculation for an organic(p-type)-inorganic(n-type) interface for p-n junction photodiode. First we did a...
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I have a dimer of my material and oxygen that is parallel to the material. i want to restrict the oxygen in the dimer as triplet state. All I think is using ONIOM and put oxygen as the lower layer...
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