Bright Emenike

4 Questions 11 Answers 0 Followers

Questions related from Bright Emenike

What is the prevailing school of thought in using AI to generate TOC images for scientific publications? Is it permissible?

I asked ChatGPT, and here is the answer: The prevailing school of thought regarding the use of AI to generate table of contents (TOC) images for scientific publications is not explicitly defined...

19 May 2023 3,619 1 View

What's the best DFT method for calculating hydrogen-bond energy?

What DFT method is the most accurate for calculating hydrogen bonding? Dispersion correction seems essential to large-system hydrogen bonds, whereas dispersion correction tends to overestimate...

05 January 2023 7,255 3 View

NMR (BSMS) troubleshooting Question?

NMR troubleshooting: After a routine shutdown, there is no communication between computer and BSMS unit, says "no communication with BSMS". Both "ii" and "cf" have been executed, which completed...

25 October 2017 7,675 1 View

How does one determine the interaction energy in an A—B complex using DFT calculation in G09?

I intend to optimize AB, A, and B separately at a dispersion-corrected level/basis set. Determine the stabilities of the optimized structures through a frequency calculation. Perform single-point...

06 April 2016 5,339 6 View