Manzoor Hussain

4 Questions 9 Answers 0 Followers

Questions related from Manzoor Hussain

How to explain the fluorescence quenching mechanism using theoretically calculated fluorescent rate constant?

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...

02 February 2018 7,091 1 View

How to validate my computed data with experimental one?

@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...

10 October 2017 746 3 View

Can I compare the single crystal data (cif) of the reference molecule with the simulated geometry of truncated COF fragment same like MOFs studies?

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...

10 October 2017 6,181 3 View

How can I run excitation state geometry optimization in Gaussian 09?

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...

01 January 1970 2,876 0 View