Manik Das

4 Questions 7 Answers 0 Followers

Questions related from Manik Das

How to perform the DFT calculation of of organic molecule which forms H bond with Cl- ion?

I have synthesized a series of organic compounds that can bind with anions. I have the single crystal of the ligand. now, the obstacle is that my synthesized ligand is neutral and it can bind with...

16 October 2024 8,466 2 View

How to calculate H bonding interaction in Gaussian software ?

I have preliminary idea about structure optimization and tddft calculation in Gaussian. But I have no such idea about how can I calculate H bonding interaction of my compounds. Can anyone from...

21 August 2024 4,098 5 View

Can anyone help me about how to optimize the structure in excited state in gaussian?

Recently, in a research paper, i found that the author had optimized the structures in an S1 excited state (S0 = G.S).

18 December 2023 9,145 8 View

Looking for a collaborator for single crystal structure solution

Hello, everyone. I am a research scholar in the Department of Chemistry at Jadavpur University. As enlisted in my bio, I worked on different research topics. Currently, I am working on the design...

01 January 1970 8,184 2 View