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Questions related from Manzoor Hussain
The photoexcited hydrogen bonded complex molecule shows low radiative rate constant as compared to its luminescent COF part. The S1 hydrogen bond is strengthened. The MOs analysis demonstrated...
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@all! Thanks for your last valuable suggestions. My problem is how to validate my computed data with experimental one? I have two type of experimental results. First the built structure in MS...
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Can anyone help me , please? I have selected some 2D luminescent COFs for TD-DFT studies particularly to probe the excited state hydrogen interaction based on their sensing property towards...
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Please need your help. I run excitation state geometry optimization for Covalent Organic Framework COF (truncated part). Molecule having total 98 atoms including NH3 molecule atoms in gaseous...
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